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 155.1
[M+Na]+ 253.09812 162.6
[M+NH4]+ 248.14272 163.3
[M+K]+ 269.07206 157.5
[M-H]- 229.10162 161.8
[M+Na-2H]- 251.08357 161.1
[M]+ 230.10835 159.4
[M]- 230.10945 159.4
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.