CID 101151

Benzenepropanol, 4-methoxy-.alpha.-methyl-

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(CCC1=CC=C(C=C1)OC)O
InChI
InChI=1S/C11H16O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9,12H,3-4H2,1-2H3
InChIKey
UOACSUDCGMMDFW-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

180.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.0
[M+Na]+ 203.10426 146.8
[M-H]- 179.10776 142.3
[M+NH4]+ 198.14886 159.6
[M+K]+ 219.07820 145.1
[M+H-H2O]+ 163.11230 134.4
[M+HCOO]- 225.11324 161.9
[M+CH3COO]- 239.12889 180.7
[M+Na-2H]- 201.08971 144.8
[M]+ 180.11449 141.4
[M]- 180.11559 141.4
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