CID 4352

51644-96-3

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCN

InChI

InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)

InChIKey

DPLOGSUBQDREOU-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-aminopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1495
Patents: 202.16812 Da
Monoisotopic Mass: 1.1
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]+	203.17540	150.9
[M+Na]+	225.15734	155.4
[M-H]-	201.16084	150.3
[M+NH4]+	220.20194	169.5
[M+K]+	241.13128	155.0
[M+H-H2O]+	185.16538	145.4
[M+HCOO]-	247.16632	173.0
[M+CH3COO]-	261.18197	190.6
[M+Na-2H]-	223.14279	154.6
[M]+	202.16757	151.8
[M]-	202.16867	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe