CID 3624927

4693-98-5

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=C(C=CC(=C1)OC)CCCCO
InChI
InChI=1S/C12H18O2/c1-10-9-12(14-2)7-6-11(10)5-3-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKey
HUWKLEVASHAQJH-UHFFFAOYSA-N
Compound name
4-(4-methoxy-2-methylphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.8
[M+Na]+ 217.11990 156.5
[M+NH4]+ 212.16450 152.1
[M+K]+ 233.09384 149.4
[M-H]- 193.12340 145.7
[M+Na-2H]- 215.10535 149.9
[M]+ 194.13013 146.1
[M]- 194.13123 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.