CID 137944060

N-(2-hydroxyethyl)-2-isothiocyanatoacetamide

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C(CO)NC(=O)CN=C=S
InChI
InChI=1S/C5H8N2O2S/c8-2-1-7-5(9)3-6-4-10/h8H,1-3H2,(H,7,9)
InChIKey
XNLBALNYSMSVQT-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-isothiocyanatoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03065 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 134.2
[M+Na]+ 183.01987 141.4
[M+NH4]+ 178.06447 140.8
[M+K]+ 198.99381 135.1
[M-H]- 159.02337 133.4
[M+Na-2H]- 181.00532 136.3
[M]+ 160.03010 134.9
[M]- 160.03120 134.9
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

No patent data available for this compound.