CID 83137

1-cyano-2-(hydroxymethyl)guanidine

Structural Information

Molecular Formula
C3H6N4O
SMILES
C(N=C(N)NC#N)O
InChI
InChI=1S/C3H6N4O/c4-1-6-3(5)7-2-8/h8H,2H2,(H3,5,6,7)
InChIKey
XFIZJENETBUYNB-UHFFFAOYSA-N
Compound name
1-cyano-2-(hydroxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

527
Patents

114.05416 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.061436 123.3
[M+Na]+ 137.043378 130.7
[M-H]- 113.046884 123.7
[M+NH4]+ 132.087983 142.3
[M+K]+ 153.017318 131.5
[M+H-H2O]+ 97.051420 111.2
[M+HCOO]- 159.052361 145.7
[M+CH3COO]- 173.068011 187.2
[M+Na-2H]- 135.028826 129.4
[M]+ 114.05361142 115.1
[M]- 114.05470858 115.1
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