CID 174875

Ineral

Structural Information

Molecular Formula
C2H7N3O
SMILES
C(N=C(N)N)O
InChI
InChI=1S/C2H7N3O/c3-2(4)5-1-6/h6H,1H2,(H4,3,4,5)
InChIKey
MBEVSMZJMIQVBG-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1504
Patents

89.058914 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.066190 114.9
[M+Na]+ 112.048132 121.3
[M-H]- 88.051638 114.7
[M+NH4]+ 107.092737 136.9
[M+K]+ 128.022072 121.5
[M+H-H2O]+ 72.056174 109.6
[M+HCOO]- 134.057115 141.1
[M+CH3COO]- 148.072765 169.7
[M+Na-2H]- 110.033580 121.1
[M]+ 89.05836542 110.0
[M]- 89.05946258 110.0
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