CID 6446398

1-penten-3-ol, 4,4-dimethyl-1-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)(C)C(/C=C/C1=CC=C(C=C1)OC)O
InChI
InChI=1S/C14H20O2/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10,13,15H,1-4H3/b10-7+
InChIKey
DIVNQNKYYURXIK-JXMROGBWSA-N
Compound name
(E)-1-(4-methoxyphenyl)-4,4-dimethylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 152.4
[M+Na]+ 243.135548 158.8
[M-H]- 219.139054 154.6
[M+NH4]+ 238.180153 170.6
[M+K]+ 259.109488 156.2
[M+H-H2O]+ 203.143590 147.0
[M+HCOO]- 265.144531 172.0
[M+CH3COO]- 279.160181 187.9
[M+Na-2H]- 241.120996 156.3
[M]+ 220.14578142 153.6
[M]- 220.14687858 153.6
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.