CID 371714

Nsc646162

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC(C)C(=S)N(C)O
InChI
InChI=1S/C5H11NOS/c1-4(2)5(8)6(3)7/h4,7H,1-3H3
InChIKey
XAVPCFLVHKSRGK-UHFFFAOYSA-N
Compound name
N-hydroxy-N,2-dimethylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

133.05614 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 127.6
[M+Na]+ 156.045358 133.8
[M-H]- 132.048864 128.3
[M+NH4]+ 151.089963 149.6
[M+K]+ 172.019298 133.9
[M+H-H2O]+ 116.053400 122.6
[M+HCOO]- 178.054341 144.3
[M+CH3COO]- 192.069991 175.8
[M+Na-2H]- 154.030806 128.3
[M]+ 133.05559142 128.4
[M]- 133.05668858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe