CID 61338582

Tert-butyl n-(1-carbamothioylcycloheptyl)carbamate

Structural Information

Molecular Formula
C13H24N2O2S
SMILES
CC(C)(C)OC(=O)NC1(CCCCCC1)C(=S)N
InChI
InChI=1S/C13H24N2O2S/c1-12(2,3)17-11(16)15-13(10(14)18)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H2,14,18)(H,15,16)
InChIKey
QRTOSHYPFSTWSM-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-carbamothioylcycloheptyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15585 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16313 162.2
[M+Na]+ 295.14507 165.6
[M+NH4]+ 290.18967 169.0
[M+K]+ 311.11901 160.6
[M-H]- 271.14857 162.2
[M+Na-2H]- 293.13052 165.4
[M]+ 272.15530 162.9
[M]- 272.15640 162.9
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

No patent data available for this compound.