CID 18423996

N-hydroxymethanethioamide

Structural Information

Molecular Formula
CH3NOS
SMILES
C(=S)NO
InChI
InChI=1S/CH3NOS/c3-2-1-4/h1,3H,(H,2,4)
InChIKey
QRBRNKKTVGXESS-UHFFFAOYSA-N
Compound name
N-hydroxymethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

76.99354 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.000816 108.8
[M+Na]+ 99.982758 117.0
[M-H]- 75.986264 108.5
[M+NH4]+ 95.027363 132.4
[M+K]+ 115.95670 115.7
[M+H-H2O]+ 59.990800 104.7
[M+HCOO]- 121.99174 128.4
[M+CH3COO]- 136.00739 159.0
[M+Na-2H]- 97.968206 114.5
[M]+ 76.992991 108.1
[M]- 76.994089 108.1
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