CID 101441

N-cyano-n',n''-bis(hydroxymethyl)guanidine

Structural Information

Molecular Formula
C4H8N4O2
SMILES
C(NC(=NCO)NC#N)O
InChI
InChI=1S/C4H8N4O2/c5-1-6-4(7-2-9)8-3-10/h9-10H,2-3H2,(H2,6,7,8)
InChIKey
IPGBSGQYXVGOAA-UHFFFAOYSA-N
Compound name
1-cyano-2,3-bis(hydroxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

144.06473 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.072006 129.7
[M+Na]+ 167.053948 136.3
[M-H]- 143.057454 129.2
[M+NH4]+ 162.098553 147.2
[M+K]+ 183.027888 137.0
[M+H-H2O]+ 127.061990 117.4
[M+HCOO]- 189.062931 151.3
[M+CH3COO]- 203.078581 189.6
[M+Na-2H]- 165.039396 135.9
[M]+ 144.06418142 122.2
[M]- 144.06527858 122.2
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