CID 53818349

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

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=C(N(N=C1)C)CO
InChI
InChI=1S/C6H10N2O/c1-5-3-7-8(2)6(5)4-9/h3,9H,4H2,1-2H3
InChIKey
MFLUBISSILXSRS-UHFFFAOYSA-N
Compound name
(2,4-dimethylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.1
[M+Na]+ 149.06853 134.2
[M-H]- 125.07204 124.4
[M+NH4]+ 144.11314 145.4
[M+K]+ 165.04247 132.8
[M+H-H2O]+ 109.07658 118.1
[M+HCOO]- 171.07752 146.5
[M+CH3COO]- 185.09317 169.4
[M+Na-2H]- 147.05398 129.6
[M]+ 126.07877 125.0
[M]- 126.07986 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