CID 242224

Pyrazol-1-yl-methanol

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1=CN(N=C1)CO
InChI
InChI=1S/C4H6N2O/c7-4-6-3-1-2-5-6/h1-3,7H,4H2
InChIKey
BYUMAPPWWKNLNX-UHFFFAOYSA-N
Compound name
pyrazol-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1172
Patents

98.04801 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 115.5
[M+Na]+ 121.037228 124.5
[M-H]- 97.040734 115.3
[M+NH4]+ 116.081833 137.2
[M+K]+ 137.011168 123.7
[M+H-H2O]+ 81.045270 109.2
[M+HCOO]- 143.046211 138.5
[M+CH3COO]- 157.061861 161.1
[M+Na-2H]- 119.022676 123.5
[M]+ 98.04746142 114.8
[M]- 98.04855858 114.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe