CID 110629

Einecs 271-847-3

Structural Information

Molecular Formula
C10H12O
SMILES
CC(=C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,11H,1,7H2,2H3
InChIKey
OVBJIGPDFPHEJT-UHFFFAOYSA-N
Compound name
4-(2-methylprop-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

525
Patents

148.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 130.5
[M+Na]+ 171.078038 138.1
[M-H]- 147.081544 133.0
[M+NH4]+ 166.122643 151.4
[M+K]+ 187.051978 135.5
[M+H-H2O]+ 131.086080 125.5
[M+HCOO]- 193.087021 152.7
[M+CH3COO]- 207.102671 174.8
[M+Na-2H]- 169.063486 135.9
[M]+ 148.08827142 129.4
[M]- 148.08936858 129.4
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