CID 3032386

N-ethylthiocarbamoylcamphidine

Structural Information

Molecular Formula
C13H24N2S
SMILES
CCNC(=S)N1CC2CCC(C1)(C2(C)C)C
InChI
InChI=1S/C13H24N2S/c1-5-14-11(16)15-8-10-6-7-13(4,9-15)12(10,2)3/h10H,5-9H2,1-4H3,(H,14,16)
InChIKey
NQQRFZPPHKHYJD-UHFFFAOYSA-N
Compound name
N-ethyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16602 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17330 154.9
[M+Na]+ 263.15524 161.5
[M-H]- 239.15874 155.8
[M+NH4]+ 258.19984 179.4
[M+K]+ 279.12918 158.4
[M+H-H2O]+ 223.16328 150.7
[M+HCOO]- 285.16422 166.4
[M+CH3COO]- 299.17987 194.8
[M+Na-2H]- 261.14069 156.9
[M]+ 240.16547 154.5
[M]- 240.16657 154.5
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.