CID 13969855

N-boc-dl-2-amino-1-hexanol

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

CCCCC(CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H23NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)

InChIKey

KCKPPJXOWKJHDP-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxyhexan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 217.1678 Da
Monoisotopic Mass: 2.1
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	159.1
[M-H]-	216.16052	153.3
[M+NH4]+	235.20162	172.7
[M+K]+	256.13096	158.9
[M+H-H2O]+	200.16506	149.8
[M+HCOO]-	262.16600	174.0
[M+CH3COO]-	276.18165	189.5
[M+Na-2H]-	238.14247	157.2
[M]+	217.16725	156.9
[M]-	217.16835	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe