CID 5062629

21240-37-9

Structural Information

Molecular Formula
C14H22O2
SMILES
C1=CC(=CC=C1CCCCO)CCCCO
InChI
InChI=1S/C14H22O2/c15-11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-16/h7-10,15-16H,1-6,11-12H2
InChIKey
PFNAUBZCUROTHN-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxybutyl)phenyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

222.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.8
[M+Na]+ 245.15121 165.1
[M+NH4]+ 240.19581 161.4
[M+K]+ 261.12515 157.6
[M-H]- 221.15471 155.0
[M+Na-2H]- 243.13666 158.9
[M]+ 222.16144 155.6
[M]- 222.16254 155.6
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

patents stripe