CID 97660

4-(4-methoxyphenyl)butan-1-ol

Structural Information

Molecular Formula
C11H16O2
SMILES
COC1=CC=C(C=C1)CCCCO
InChI
InChI=1S/C11H16O2/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8,12H,2-4,9H2,1H3
InChIKey
ONIBHZIXCLTLNO-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

180.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.7
[M+Na]+ 203.10426 146.7
[M-H]- 179.10776 141.8
[M+NH4]+ 198.14886 159.3
[M+K]+ 219.07820 144.5
[M+H-H2O]+ 163.11230 134.0
[M+HCOO]- 225.11324 162.6
[M+CH3COO]- 239.12889 179.9
[M+Na-2H]- 201.08971 145.7
[M]+ 180.11449 141.7
[M]- 180.11559 141.7
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