CID 118663726

891782-29-9

Structural Information

Molecular Formula
C9H17NOS
SMILES
CC(C)(C)[S@@](=O)N=C1CCCC1
InChI
InChI=1S/C9H17NOS/c1-9(2,3)12(11)10-8-6-4-5-7-8/h4-7H2,1-3H3/t12-/m1/s1
InChIKey
NLMAXOUUSMPKKX-GFCCVEGCSA-N
Compound name
(R)-N-cyclopentylidene-2-methylpropane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 143.9
[M+Na]+ 210.092308 149.9
[M-H]- 186.095814 148.6
[M+NH4]+ 205.136913 166.4
[M+K]+ 226.066248 148.9
[M+H-H2O]+ 170.100350 138.6
[M+HCOO]- 232.101291 161.5
[M+CH3COO]- 246.116941 183.5
[M+Na-2H]- 208.077756 144.9
[M]+ 187.10254142 143.9
[M]- 187.10363858 143.9
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

patents stripe