CID 45091983

172833-25-9

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CC(CCCN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H22N2O2/c1-8(6-5-7-11)12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)

InChIKey

VGFSVDUGQNCSSD-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-aminopentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	151.3
[M+Na]+	225.15734	155.6
[M-H]-	201.16084	150.8
[M+NH4]+	220.20194	169.8
[M+K]+	241.13128	155.6
[M+H-H2O]+	185.16538	145.8
[M+HCOO]-	247.16632	172.4
[M+CH3COO]-	261.18197	191.4
[M+Na-2H]-	223.14279	153.7
[M]+	202.16757	151.5
[M]-	202.16867	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe