CID 3049081

4-heptanamine, n-methylene-4-propyl-

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCCC(CCC)(CCC)N=C

InChI

InChI=1S/C11H23N/c1-5-8-11(12-4,9-6-2)10-7-3/h4-10H2,1-3H3

InChIKey

LTSABTPAOZFBSA-UHFFFAOYSA-N

Compound name

N-(4-propylheptan-4-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 169.18304 Da
Monoisotopic Mass: 5.0
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	143.5
[M+Na]+	192.17226	149.1
[M-H]-	168.17576	144.7
[M+NH4]+	187.21686	164.9
[M+K]+	208.14620	148.3
[M+H-H2O]+	152.18030	138.5
[M+HCOO]-	214.18124	166.9
[M+CH3COO]-	228.19689	189.4
[M+Na-2H]-	190.15771	149.4
[M]+	169.18249	146.7
[M]-	169.18359	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe