CID 169145

1-(4-methoxyphenyl)propan-2-ol

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(CC1=CC=C(C=C1)OC)O
InChI
InChI=1S/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKey
TXIWFQCAXKAOBZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

119
Patents

166.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.3
[M+Na]+ 189.08860 142.5
[M-H]- 165.09210 137.8
[M+NH4]+ 184.13320 155.5
[M+K]+ 205.06254 141.1
[M+H-H2O]+ 149.09664 129.9
[M+HCOO]- 211.09758 157.6
[M+CH3COO]- 225.11323 177.7
[M+Na-2H]- 187.07405 140.6
[M]+ 166.09883 136.4
[M]- 166.09993 136.4
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