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

95
Patents

113.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 120.1
[M+Na]+ 136.04813 128.8
[M-H]- 112.05164 118.4
[M+NH4]+ 131.09274 140.1
[M+K]+ 152.02207 126.4
[M+H-H2O]+ 96.056174 113.8
[M+HCOO]- 158.05712 142.0
[M+CH3COO]- 172.07276 163.8
[M+Na-2H]- 134.03358 126.2
[M]+ 113.05837 116.2
[M]- 113.05946 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