CID 27730

N-cyclopropyl-1-methylheptylamine

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCCCCCC(C)NC1CC1

InChI

InChI=1S/C11H23N/c1-3-4-5-6-7-10(2)12-11-8-9-11/h10-12H,3-9H2,1-2H3

InChIKey

OXCNYYJMYCUCSK-UHFFFAOYSA-N

Compound name

N-octan-2-ylcyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.18304 Da
Monoisotopic Mass: 3.7
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	140.9
[M+Na]+	192.17226	147.0
[M-H]-	168.17576	144.8
[M+NH4]+	187.21686	156.4
[M+K]+	208.14620	144.7
[M+H-H2O]+	152.18030	134.3
[M+HCOO]-	214.18124	163.6
[M+CH3COO]-	228.19689	189.4
[M+Na-2H]-	190.15771	145.2
[M]+	169.18249	143.8
[M]-	169.18359	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.