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
1
Annotation Hits

0
References

276
Patents

114.05416 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 123.3
[M+Na]+ 137.04338 130.7
[M-H]- 113.04688 123.7
[M+NH4]+ 132.08798 142.3
[M+K]+ 153.01732 131.5
[M+H-H2O]+ 97.051420 111.2
[M+HCOO]- 159.05236 145.7
[M+CH3COO]- 173.06801 187.2
[M+Na-2H]- 135.02883 129.4
[M]+ 114.05361 115.1
[M]- 114.05471 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