CID 10332121

144183-31-3

Structural Information

Molecular Formula

C₁₃H₂₇NO₃

SMILES

CC(C)(C)OC(=O)NCCCCCCCCO

InChI

InChI=1S/C13H27NO3/c1-13(2,3)17-12(16)14-10-8-6-4-5-7-9-11-15/h15H,4-11H2,1-3H3,(H,14,16)

InChIKey

ZXNLQLJANDBXLE-UHFFFAOYSA-N

Compound name

tert-butyl N-(8-hydroxyoctyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 245.1991 Da
Monoisotopic Mass: 2.8
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]+	246.20638	162.0
[M+Na]+	268.18832	168.3
[M+NH4]+	263.23292	167.0
[M+K]+	284.16226	164.0
[M-H]-	244.19182	159.3
[M+Na-2H]-	266.17377	162.4
[M]+	245.19855	161.7
[M]-	245.19965	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe