CID 6446409

1-penten-3-ol, 4,4-dimethyl-1-(4-pyridinyl)-, 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]+ 192.138286 145.4
[M+Na]+ 214.120228 151.8
[M-H]- 190.123734 146.1
[M+NH4]+ 209.164833 163.2
[M+K]+ 230.094168 149.0
[M+H-H2O]+ 174.128270 139.4
[M+HCOO]- 236.129211 164.1
[M+CH3COO]- 250.144861 181.3
[M+Na-2H]- 212.105676 151.1
[M]+ 191.13046142 144.5
[M]- 191.13155858 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.