CID 11816172

(2e)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC(=C(C(=C1)C)/C=C/CO)C
InChI
InChI=1S/C12H16O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKey
BVUVTKNRNIVRRY-SNAWJCMRSA-N
Compound name
(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

literature stripe

Patent stripe

patents stripe