CID 4379736

Schembl3219777

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

COC(=O)C(CCCN)N

InChI

InChI=1S/C6H14N2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,7-8H2,1H3

InChIKey

AXAVQPASFYJDEM-UHFFFAOYSA-N

Compound name

methyl 2,5-diaminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 593
Patents: 146.10553 Da
Monoisotopic Mass: -1.0
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]+	147.112806	133.4
[M+Na]+	169.094748	138.7
[M-H]-	145.098254	132.6
[M+NH4]+	164.139353	153.6
[M+K]+	185.068688	139.0
[M+H-H2O]+	129.102790	127.8
[M+HCOO]-	191.103731	156.6
[M+CH3COO]-	205.119381	179.7
[M+Na-2H]-	167.080196	136.0
[M]+	146.10498142	131.7
[M]-	146.10607858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe