CID 15830737

201282-04-4

Structural Information

Molecular Formula

C₁₃H₂₅ClN₂O₃

SMILES

CC(C)(C)OC(=O)NCCCCCCNC(=O)CCl

InChI

InChI=1S/C13H25ClN2O3/c1-13(2,3)19-12(18)16-9-7-5-4-6-8-15-11(17)10-14/h4-10H2,1-3H3,(H,15,17)(H,16,18)

InChIKey

DHQOZFQGPYEETI-UHFFFAOYSA-N

Compound name

tert-butyl N-[6-[(2-chloroacetyl)amino]hexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 292.15536 Da
Monoisotopic Mass: 2.3
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]+	293.162636	172.1
[M+Na]+	315.144578	176.2
[M-H]-	291.148084	171.6
[M+NH4]+	310.189183	188.2
[M+K]+	331.118518	173.6
[M+H-H2O]+	275.152620	167.0
[M+HCOO]-	337.153561	188.9
[M+CH3COO]-	351.169211	205.3
[M+Na-2H]-	313.130026	173.9
[M]+	292.15481142	177.2
[M]-	292.15590858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe