CID 10290770

2-isothiocyanatoacetamide

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C(C(=O)N)N=C=S
InChI
InChI=1S/C3H4N2OS/c4-3(6)1-5-2-7/h1H2,(H2,4,6)
InChIKey
LXDZRHJIMQYSSD-UHFFFAOYSA-N
Compound name
2-isothiocyanatoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

116.00443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.011706 119.6
[M+Na]+ 138.993648 127.3
[M-H]- 114.997154 121.3
[M+NH4]+ 134.038253 142.3
[M+K]+ 154.967588 126.1
[M+H-H2O]+ 99.001690 114.2
[M+HCOO]- 161.002631 141.2
[M+CH3COO]- 175.018281 172.9
[M+Na-2H]- 136.979096 123.4
[M]+ 116.00388142 119.5
[M]- 116.00497858 119.5
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