CID 14966606

134477-39-7

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: 28
Patents: 279.18344 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.190716	169.3
[M+Na]+	302.172658	172.3
[M-H]-	278.176164	170.0
[M+NH4]+	297.217263	184.0
[M+K]+	318.146598	169.2
[M+H-H2O]+	262.180700	161.6
[M+HCOO]-	324.181641	190.9
[M+CH3COO]-	338.197291	199.4
[M+Na-2H]-	300.158106	172.2
[M]+	279.18289142	171.8
[M]-	279.18398858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe