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 122.3
[M+Na]+ 138.99365 130.7
[M+NH4]+ 134.03825 130.1
[M+K]+ 154.96759 124.2
[M-H]- 114.99715 122.5
[M+Na-2H]- 136.97910 125.4
[M]+ 116.00388 123.6
[M]- 116.00498 123.6
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