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

2
Patents

116.00443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 119.6
[M+Na]+ 138.99365 127.3
[M-H]- 114.99715 121.3
[M+NH4]+ 134.03825 142.3
[M+K]+ 154.96759 126.1
[M+H-H2O]+ 99.001690 114.2
[M+HCOO]- 161.00263 141.2
[M+CH3COO]- 175.01828 172.9
[M+Na-2H]- 136.97910 123.4
[M]+ 116.00388 119.5
[M]- 116.00498 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