CID 3437312

1,3-dimethyl-3-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

24
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 124.9
[M+Na]+ 156.02021 131.6
[M-H]- 132.02371 128.5
[M+NH4]+ 151.06481 147.5
[M+K]+ 171.99415 132.6
[M+H-H2O]+ 116.02825 118.5
[M+HCOO]- 178.02919 148.3
[M+CH3COO]- 192.04484 182.3
[M+Na-2H]- 154.00566 129.3
[M]+ 133.03044 126.8
[M]- 133.03154 126.8
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