CID 3437312

1,3-dimethyl-1-nitrosothiourea

Structural Information

Molecular Formula
C3H7N3OS
SMILES
CNC(=S)N(C)N=O
InChI
InChI=1S/C3H7N3OS/c1-4-3(8)6(2)5-7/h1-2H3,(H,4,8)
InChIKey
IUCMUVKUUCOJLI-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-nitrosothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

133.03099 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03827 127.1
[M+Na]+ 156.02021 134.6
[M+NH4]+ 151.06481 134.9
[M+K]+ 171.99415 128.9
[M-H]- 132.02371 128.2
[M+Na-2H]- 154.00566 130.8
[M]+ 133.03044 128.5
[M]- 133.03154 128.5
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

patents stripe