CID 3048065

Usaf la-21

Structural Information

Molecular Formula

C₁₀H₁₇N₃

SMILES

CNCCN(CC1=CC=CC=C1)N

InChI

InChI=1S/C10H17N3/c1-12-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,12H,7-9,11H2,1H3

InChIKey

WNTOUDNTIDTFNQ-UHFFFAOYSA-N

Compound name

2-[amino(benzyl)amino]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.14224 Da
Monoisotopic Mass: 0.6
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]+	180.14952	140.2
[M+Na]+	202.13146	144.7
[M-H]-	178.13496	144.3
[M+NH4]+	197.17606	159.6
[M+K]+	218.10540	143.5
[M+H-H2O]+	162.13950	132.9
[M+HCOO]-	224.14044	167.4
[M+CH3COO]-	238.15609	191.9
[M+Na-2H]-	200.11691	147.0
[M]+	179.14169	138.5
[M]-	179.14279	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe