CID 124511786

(2e)-3-(2,4,5-trimethylphenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC(=C(C=C1C)/C=C/CO)C
InChI
InChI=1S/C12H16O/c1-9-7-11(3)12(5-4-6-13)8-10(9)2/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKey
XQGQYHKZVPIYIW-SNAWJCMRSA-N
Compound name
(E)-3-(2,4,5-trimethylphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 138.1
[M+Na]+ 199.10934 147.2
[M-H]- 175.11284 141.1
[M+NH4]+ 194.15394 158.7
[M+K]+ 215.08328 143.7
[M+H-H2O]+ 159.11738 133.2
[M+HCOO]- 221.11832 160.7
[M+CH3COO]- 235.13397 181.7
[M+Na-2H]- 197.09479 142.4
[M]+ 176.11957 139.2
[M]- 176.12067 139.2
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.