CID 80604065

(1-ethylcyclooctyl)methanamine

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCC1(CCCCCCC1)CN

InChI

InChI=1S/C11H23N/c1-2-11(10-12)8-6-4-3-5-7-9-11/h2-10,12H2,1H3

InChIKey

CKOUFYLSWNIFNN-UHFFFAOYSA-N

Compound name

(1-ethylcyclooctyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.18304 Da
Monoisotopic Mass: 3.5
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	151.4
[M+Na]+	192.17226	154.9
[M-H]-	168.17576	152.7
[M+NH4]+	187.21686	161.2
[M+K]+	208.14620	155.2
[M+H-H2O]+	152.18030	148.1
[M+HCOO]-	214.18124	160.2
[M+CH3COO]-	228.19689	221.7
[M+Na-2H]-	190.15771	151.4
[M]+	169.18249	148.6
[M]-	169.18359	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.