CID 155821819

2353778-35-3

Structural Information

Molecular Formula
C10H18N2O2S
SMILES
CC(C)(C)OC(=O)NCC1(CC1)C(=S)N
InChI
InChI=1S/C10H18N2O2S/c1-9(2,3)14-8(13)12-6-10(4-5-10)7(11)15/h4-6H2,1-3H3,(H2,11,15)(H,12,13)
InChIKey
YLLPFXJQDOKYJF-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-carbamothioylcyclopropyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1089 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11618 147.4
[M+Na]+ 253.09812 153.9
[M-H]- 229.10162 151.0
[M+NH4]+ 248.14272 162.1
[M+K]+ 269.07206 151.5
[M+H-H2O]+ 213.10616 142.7
[M+HCOO]- 275.10710 163.3
[M+CH3COO]- 289.12275 195.0
[M+Na-2H]- 251.08357 150.0
[M]+ 230.10835 150.9
[M]- 230.10945 150.9
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.