CID 6434665

Lcg 21640

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC/C=C/C(CC)(CC)N

InChI

InChI=1S/C9H19N/c1-4-7-8-9(10,5-2)6-3/h7-8H,4-6,10H2,1-3H3/b8-7+

InChIKey

BTVOWJIGWVHRND-BQYQJAHWSA-N

Compound name

(E)-3-ethylhept-4-en-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.15175 Da
Monoisotopic Mass: 2.2
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]+	142.15903	135.8
[M+Na]+	164.14097	141.8
[M-H]-	140.14447	135.4
[M+NH4]+	159.18557	157.3
[M+K]+	180.11491	140.2
[M+H-H2O]+	124.14901	131.4
[M+HCOO]-	186.14995	157.6
[M+CH3COO]-	200.16560	179.1
[M+Na-2H]-	162.12642	141.0
[M]+	141.15120	135.1
[M]-	141.15230	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe