CID 87263201

5-(methylamino)-n-boc-pentanamine

Structural Information

Molecular Formula

C₁₁H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCNC

InChI

InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-6-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)

InChIKey

BMLZYLJFEUKOOF-UHFFFAOYSA-N

Compound name

tert-butyl N-[5-(methylamino)pentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 216.18378 Da
Monoisotopic Mass: 1.6
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]+	217.19106	154.0
[M+Na]+	239.17300	160.5
[M+NH4]+	234.21760	159.8
[M+K]+	255.14694	156.2
[M-H]-	215.17650	152.7
[M+Na-2H]-	237.15845	155.7
[M]+	216.18323	154.1
[M]-	216.18433	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe