CID 259665

2-(3,5-dimethyl-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=CC(=NN1CCO)C
InChI
InChI=1S/C7H12N2O/c1-6-5-7(2)9(8-6)3-4-10/h5,10H,3-4H2,1-2H3
InChIKey
ZGJJEKYPEQXOBM-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

140.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.7
[M+Na]+ 163.08418 138.4
[M-H]- 139.08768 128.9
[M+NH4]+ 158.12878 149.4
[M+K]+ 179.05812 136.7
[M+H-H2O]+ 123.09222 122.5
[M+HCOO]- 185.09316 150.8
[M+CH3COO]- 199.10881 172.4
[M+Na-2H]- 161.06963 133.7
[M]+ 140.09441 130.0
[M]- 140.09551 130.0
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