CID 6427115

2-methyl-5-(prop-1-en-2-yl)phenol

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=C(C=C(C=C1)C(=C)C)O
InChI
InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3
InChIKey
HHTWOMMSBMNRKP-UHFFFAOYSA-N
Compound name
2-methyl-5-prop-1-en-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23645
Patents

148.08882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 129.5
[M+Na]+ 171.07804 138.0
[M-H]- 147.08154 132.4
[M+NH4]+ 166.12264 150.7
[M+K]+ 187.05198 135.5
[M+H-H2O]+ 131.08608 124.8
[M+HCOO]- 193.08702 151.7
[M+CH3COO]- 207.10267 175.9
[M+Na-2H]- 169.06349 134.2
[M]+ 148.08827 128.8
[M]- 148.08937 128.8
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