CID 18598

2-methyl-6-(propan-2-yl)phenol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=C(C(=CC=C1)C(C)C)O
InChI
InChI=1S/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3
InChIKey
KFETUQFRWIVAMU-UHFFFAOYSA-N
Compound name
2-methyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1778
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.0
[M+Na]+ 173.093678 139.3
[M-H]- 149.097184 133.9
[M+NH4]+ 168.138283 152.3
[M+K]+ 189.067618 137.3
[M+H-H2O]+ 133.101720 126.2
[M+HCOO]- 195.102661 153.0
[M+CH3COO]- 209.118311 176.9
[M+Na-2H]- 171.079126 135.7
[M]+ 150.10391142 131.0
[M]- 150.10500858 131.0
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