CID 14966606

Benzyl (8-hydroxyoctyl)carbamate

Structural Information

Molecular Formula
C16H25NO3
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCCCCO
InChI
InChI=1S/C16H25NO3/c18-13-9-4-2-1-3-8-12-17-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11,18H,1-4,8-9,12-14H2,(H,17,19)
InChIKey
CUNSRDNJMLJVKI-UHFFFAOYSA-N
Compound name
benzyl N-(8-hydroxyoctyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

279.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.6
[M+Na]+ 302.17266 178.5
[M+NH4]+ 297.21726 175.6
[M+K]+ 318.14660 171.7
[M-H]- 278.17616 170.4
[M+Na-2H]- 300.15811 173.6
[M]+ 279.18289 170.7
[M]- 279.18399 170.7
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