CID 11116238

4-(2-hydroxypropan-2-yl)phenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(C)(C1=CC=C(C=C1)O)O
InChI
InChI=1S/C9H12O2/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,10-11H,1-2H3
InChIKey
PMZXHWXCHFTBFZ-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

373
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.0
[M+Na]+ 175.07294 139.0
[M-H]- 151.07644 132.5
[M+NH4]+ 170.11754 151.3
[M+K]+ 191.04688 136.8
[M+H-H2O]+ 135.08098 126.7
[M+HCOO]- 197.08192 151.5
[M+CH3COO]- 211.09757 171.5
[M+Na-2H]- 173.05839 138.3
[M]+ 152.08317 130.0
[M]- 152.08427 130.0
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