CID 5062629

4-(4-(4-hydroxy-butyl)-phenyl)-butan-1-ol

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

289
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 154.0
[M+Na]+ 245.15121 159.3
[M-H]- 221.15471 154.2
[M+NH4]+ 240.19581 171.2
[M+K]+ 261.12515 155.4
[M+H-H2O]+ 205.15925 147.9
[M+HCOO]- 267.16019 174.4
[M+CH3COO]- 281.17584 186.3
[M+Na-2H]- 243.13666 157.8
[M]+ 222.16144 155.3
[M]- 222.16254 155.3
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