CID 201382

5875-28-5

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C(C(=O)N)SC#N
InChI
InChI=1S/C3H4N2OS/c4-2-7-1-3(5)6/h1H2,(H2,5,6)
InChIKey
HULACTSWGYVJQP-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

116.00443 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 119.2
[M+Na]+ 138.99365 127.8
[M+NH4]+ 134.03825 123.9
[M+K]+ 154.96759 119.2
[M-H]- 114.99715 112.0
[M+Na-2H]- 136.97910 120.4
[M]+ 116.00388 117.7
[M]- 116.00498 117.7
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