CID 14529

2-(4-methylphenyl)propan-2-ol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

17
References

1339
Patents

150.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.4
[M+Na]+ 173.09368 139.5
[M-H]- 149.09718 134.2
[M+NH4]+ 168.13828 152.6
[M+K]+ 189.06762 137.5
[M+H-H2O]+ 133.10172 127.0
[M+HCOO]- 195.10266 152.9
[M+CH3COO]- 209.11831 175.2
[M+Na-2H]- 171.07913 138.7
[M]+ 150.10391 131.3
[M]- 150.10501 131.3
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