CID 949772

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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

literature stripe

Patent stripe

patents stripe