CID 3077929

Brn 4743888

Structural Information

Molecular Formula

C₁₉H₃₁N

SMILES

CCCCCCCCNC1C2C3CC4C1C5C2CC3C45

InChI

InChI=1S/C19H31N/c1-2-3-4-5-6-7-8-20-19-16-12-10-13-15-11(12)9-14(16)17(15)18(13)19/h11-20H,2-10H2,1H3

InChIKey

YJCSNXASFMCCDI-UHFFFAOYSA-N

Compound name

N-octylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 273.24564 Da
Monoisotopic Mass: 5.3
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]+	274.252916	175.5
[M+Na]+	296.234858	177.9
[M-H]-	272.238364	178.2
[M+NH4]+	291.279463	197.0
[M+K]+	312.208798	175.8
[M+H-H2O]+	256.242900	168.7
[M+HCOO]-	318.243841	190.2
[M+CH3COO]-	332.259491	184.8
[M+Na-2H]-	294.220306	172.4
[M]+	273.24509142	188.1
[M]-	273.24618858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe