CID 10934941

(s)-(+)-(2-butenoyl)-2,10-camphorsultam

Structural Information

Molecular Formula
C14H21NO3S
SMILES
C/C=C/C(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O
InChI
InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,14-/m0/s1
InChIKey
BKPQKSSKLBTRJO-LHNOPMQHSA-N
Compound name
(E)-1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.1242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.131476 164.0
[M+Na]+ 306.113418 174.2
[M-H]- 282.116924 167.7
[M+NH4]+ 301.158023 192.8
[M+K]+ 322.087358 170.8
[M+H-H2O]+ 266.121460 162.7
[M+HCOO]- 328.122401 177.1
[M+CH3COO]- 342.138051 196.2
[M+Na-2H]- 304.098866 164.2
[M]+ 283.12365142 168.6
[M]- 283.12474858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.