CID 18801405

3-(1-methyl-1h-pyrazol-4-yl)propan-1-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CN1C=C(C=N1)CCCO
InChI
InChI=1S/C7H12N2O/c1-9-6-7(5-8-9)3-2-4-10/h5-6,10H,2-4H2,1H3
InChIKey
ZICNHHFTLCVQCR-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

140.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.1
[M+Na]+ 163.08418 137.8
[M-H]- 139.08768 128.8
[M+NH4]+ 158.12878 149.4
[M+K]+ 179.05812 136.1
[M+H-H2O]+ 123.09222 122.5
[M+HCOO]- 185.09316 151.1
[M+CH3COO]- 199.10881 171.3
[M+Na-2H]- 161.06963 134.7
[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

No literature data available for this compound.

Patent stripe

patents stripe