CID 6446409

1-(4-pyridyl)-4,4-dimethylpent-1-en-3-ol hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)(C)C(/C=C/C1=CC=NC=C1)O
InChI
InChI=1S/C12H17NO/c1-12(2,3)11(14)5-4-10-6-8-13-9-7-10/h4-9,11,14H,1-3H3/b5-4+
InChIKey
LXYRDPILXHVBIP-SNAWJCMRSA-N
Compound name
(E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 145.4
[M+Na]+ 214.12023 151.8
[M-H]- 190.12373 146.1
[M+NH4]+ 209.16483 163.2
[M+K]+ 230.09417 149.0
[M+H-H2O]+ 174.12827 139.4
[M+HCOO]- 236.12921 164.1
[M+CH3COO]- 250.14486 181.3
[M+Na-2H]- 212.10568 151.1
[M]+ 191.13046 144.5
[M]- 191.13156 144.5
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

No patent data available for this compound.