CID 7172184

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

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=C(C(=NN1C)C)CO
InChI
InChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
InChIKey
CIZQKYSGJAQKTI-UHFFFAOYSA-N
Compound name
(1,3,5-trimethylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

140.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.3
[M+Na]+ 163.08418 138.9
[M-H]- 139.08768 128.8
[M+NH4]+ 158.12878 149.3
[M+K]+ 179.05812 137.2
[M+H-H2O]+ 123.09222 122.4
[M+HCOO]- 185.09316 150.3
[M+CH3COO]- 199.10881 173.6
[M+Na-2H]- 161.06963 132.5
[M]+ 140.09441 129.9
[M]- 140.09551 129.9
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