CID 11117647

7-(benzyloxy)heptan-1-ol

Structural Information

Molecular Formula
C14H22O2
SMILES
C1=CC=C(C=C1)COCCCCCCCO
InChI
InChI=1S/C14H22O2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,15H,1-3,7-8,11-13H2
InChIKey
FJIOZWDOIPNGGM-UHFFFAOYSA-N
Compound name
7-phenylmethoxyheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

222.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 154.0
[M+Na]+ 245.15121 158.8
[M-H]- 221.15471 155.1
[M+NH4]+ 240.19581 171.6
[M+K]+ 261.12515 155.7
[M+H-H2O]+ 205.15925 147.3
[M+HCOO]- 267.16019 175.8
[M+CH3COO]- 281.17584 187.8
[M+Na-2H]- 243.13666 159.0
[M]+ 222.16144 156.7
[M]- 222.16254 156.7
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