CID 13678573

2-[4-(hydroxymethyl)phenyl]propan-2-ol

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(C)(C1=CC=C(C=C1)CO)O
InChI
InChI=1S/C10H14O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,11-12H,7H2,1-2H3
InChIKey
SCFJMEUTGBQXLX-UHFFFAOYSA-N
Compound name
2-[4-(hydroxymethyl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

166.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.7
[M+Na]+ 189.08860 143.2
[M-H]- 165.09210 137.0
[M+NH4]+ 184.13320 155.4
[M+K]+ 205.06254 140.8
[M+H-H2O]+ 149.09664 131.2
[M+HCOO]- 211.09758 155.9
[M+CH3COO]- 225.11323 174.6
[M+Na-2H]- 187.07405 142.5
[M]+ 166.09883 135.1
[M]- 166.09993 135.1
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