CID 55263172

(3-amino-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=C(NN=C1N)CO
InChI
InChI=1S/C4H7N3O/c5-4-1-3(2-8)6-7-4/h1,8H,2H2,(H3,5,6,7)
InChIKey
NZORXPUYHVZTQG-UHFFFAOYSA-N
Compound name
(3-amino-1H-pyrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

113.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 120.1
[M+Na]+ 136.048132 128.8
[M-H]- 112.051638 118.4
[M+NH4]+ 131.092737 140.1
[M+K]+ 152.022072 126.4
[M+H-H2O]+ 96.056174 113.8
[M+HCOO]- 158.057115 142.0
[M+CH3COO]- 172.072765 163.8
[M+Na-2H]- 134.033580 126.2
[M]+ 113.05836542 116.2
[M]- 113.05946258 116.2
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