CID 6434667

Lcg 21643

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

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

InChI

InChI=1S/C11H23N/c1-5-7-9-11(12,8-6-2)10(3)4/h7,9-10H,5-6,8,12H2,1-4H3/b9-7+

InChIKey

MFMVPQQYDRYYIT-VQHVLOKHSA-N

Compound name

(E)-4-propan-2-yloct-5-en-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.18304 Da
Monoisotopic Mass: 3.0
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]+	170.19032	144.4
[M+Na]+	192.17226	152.8
[M+NH4]+	187.21686	151.7
[M+K]+	208.14620	147.2
[M-H]-	168.17576	143.9
[M+Na-2H]-	190.15771	146.9
[M]+	169.18249	145.2
[M]-	169.18359	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.