CID 93599982

[(2s)-2-amino-3-methylbutyl](ethyl)amine

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CCNC[C@H](C(C)C)N

InChI

InChI=1S/C7H18N2/c1-4-9-5-7(8)6(2)3/h6-7,9H,4-5,8H2,1-3H3/t7-/m1/s1

InChIKey

SLYXZCWXDBXVIS-SSDOTTSWSA-N

Compound name

(2S)-1-N-ethyl-3-methylbutane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.147 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]+	131.15428	133.5
[M+Na]+	153.13622	138.1
[M-H]-	129.13972	133.1
[M+NH4]+	148.18082	154.7
[M+K]+	169.11016	138.1
[M+H-H2O]+	113.14426	128.1
[M+HCOO]-	175.14520	156.2
[M+CH3COO]-	189.16085	180.9
[M+Na-2H]-	151.12167	136.6
[M]+	130.14645	131.1
[M]-	130.14755	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe