CID 4633353

(1,5-dimethyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=C(C=NN1C)CO
InChI
InChI=1S/C6H10N2O/c1-5-6(4-9)3-7-8(5)2/h3,9H,4H2,1-2H3
InChIKey
ZLKFGFIBRVAIDL-UHFFFAOYSA-N
Compound name
(1,5-dimethylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.1
[M+Na]+ 149.068533 134.2
[M-H]- 125.072039 124.4
[M+NH4]+ 144.113138 145.4
[M+K]+ 165.042473 132.8
[M+H-H2O]+ 109.076575 118.1
[M+HCOO]- 171.077516 146.5
[M+CH3COO]- 185.093166 169.4
[M+Na-2H]- 147.053981 129.6
[M]+ 126.07876642 125.0
[M]- 126.07986358 125.0
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