CID 4146612

75937-12-1

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NCCCCCCO

InChI

InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)

InChIKey

BDLPJHZUTLGFON-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-hydroxyhexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 686
Patents: 217.1678 Da
Monoisotopic Mass: 1.7
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]+	218.17508	154.8
[M+Na]+	240.15702	159.3
[M-H]-	216.16052	153.1
[M+NH4]+	235.20162	172.7
[M+K]+	256.13096	158.5
[M+H-H2O]+	200.16506	149.6
[M+HCOO]-	262.16600	174.9
[M+CH3COO]-	276.18165	188.7
[M+Na-2H]-	238.14247	158.4
[M]+	217.16725	157.5
[M]-	217.16835	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe