CID 165469809

Tert-butyl n-[(3-sulfanylcyclohexyl)methyl]carbamate

Structural Information

Molecular Formula
C12H23NO2S
SMILES
CC(C)(C)OC(=O)NCC1CCCC(C1)S
InChI
InChI=1S/C12H23NO2S/c1-12(2,3)15-11(14)13-8-9-5-4-6-10(16)7-9/h9-10,16H,4-8H2,1-3H3,(H,13,14)
InChIKey
JKQUYICPJRPHQY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-sulfanylcyclohexyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15222 158.6
[M+Na]+ 268.13416 162.1
[M-H]- 244.13766 161.1
[M+NH4]+ 263.17876 176.3
[M+K]+ 284.10810 160.5
[M+H-H2O]+ 228.14220 152.7
[M+HCOO]- 290.14314 171.5
[M+CH3COO]- 304.15879 193.6
[M+Na-2H]- 266.11961 158.7
[M]+ 245.14439 158.0
[M]- 245.14549 158.0
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.