CID 7131202

2-[(carbamothioylmethyl)(methyl)amino]-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula
C8H17N3OS
SMILES
CC(C)NC(=O)CN(C)CC(=S)N
InChI
InChI=1S/C8H17N3OS/c1-6(2)10-8(12)5-11(3)4-7(9)13/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKey
KSMSNGZEFGPFCP-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10924 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11652 148.7
[M+Na]+ 226.09846 152.2
[M-H]- 202.10196 149.4
[M+NH4]+ 221.14306 167.2
[M+K]+ 242.07240 151.7
[M+H-H2O]+ 186.10650 141.7
[M+HCOO]- 248.10744 166.2
[M+CH3COO]- 262.12309 196.7
[M+Na-2H]- 224.08391 146.8
[M]+ 203.10869 148.3
[M]- 203.10979 148.3
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.