CID 50986463

Tert-butyl n-(1-carbamothioylcyclobutyl)carbamate

Structural Information

Molecular Formula
C10H18N2O2S
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C(=S)N
InChI
InChI=1S/C10H18N2O2S/c1-9(2,3)14-8(13)12-10(7(11)15)5-4-6-10/h4-6H2,1-3H3,(H2,11,15)(H,12,13)
InChIKey
LDBBHDGQQKVLCS-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-carbamothioylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1089 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11618 157.3
[M+Na]+ 253.09812 158.2
[M+NH4]+ 248.14272 160.8
[M+K]+ 269.07206 153.8
[M-H]- 229.10162 154.1
[M+Na-2H]- 251.08357 157.7
[M]+ 230.10835 155.5
[M]- 230.10945 155.5
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.