CID 19030451

Tert-butyl 7-aminoheptanoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CC(C)(C)OC(=O)CCCCCCN

InChI

InChI=1S/C11H23NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9,12H2,1-3H3

InChIKey

IIALHJIMGXLAJI-UHFFFAOYSA-N

Compound name

tert-butyl 7-aminoheptanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 201.17288 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]+	202.180156	151.6
[M+Na]+	224.162098	156.6
[M-H]-	200.165604	150.9
[M+NH4]+	219.206703	170.7
[M+K]+	240.136038	155.9
[M+H-H2O]+	184.170140	146.5
[M+HCOO]-	246.171081	172.4
[M+CH3COO]-	260.186731	189.3
[M+Na-2H]-	222.147546	154.6
[M]+	201.17233142	153.9
[M]-	201.17342858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe