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]+ 195.137956 143.7
[M+Na]+ 217.119898 151.3
[M-H]- 193.123404 146.1
[M+NH4]+ 212.164503 163.1
[M+K]+ 233.093838 148.8
[M+H-H2O]+ 177.127940 138.1
[M+HCOO]- 239.128881 166.3
[M+CH3COO]- 253.144531 184.1
[M+Na-2H]- 215.105346 148.5
[M]+ 194.13013142 146.5
[M]- 194.13122858 146.5
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.