CID 55264682

(1,4-dimethyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=CN(N=C1CO)C
InChI
InChI=1S/C6H10N2O/c1-5-3-8(2)7-6(5)4-9/h3,9H,4H2,1-2H3
InChIKey
OTUVGILLGRMINB-UHFFFAOYSA-N
Compound name
(1,4-dimethylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

No literature data available for this compound.

Patent stripe

patents stripe