CID 822983

(1-phenyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)CO
InChI
InChI=1S/C10H10N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-7,13H,8H2
InChIKey
UCPVQFRIXFGLOJ-UHFFFAOYSA-N
Compound name
(1-phenylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 135.2
[M+Na]+ 197.068538 144.0
[M-H]- 173.072044 138.3
[M+NH4]+ 192.113143 153.8
[M+K]+ 213.042478 140.7
[M+H-H2O]+ 157.076580 127.5
[M+HCOO]- 219.077521 157.9
[M+CH3COO]- 233.093171 148.6
[M+Na-2H]- 195.053986 141.7
[M]+ 174.07877142 134.6
[M]- 174.07986858 134.6
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