CID 231262

92145-55-6

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(CC1=CCCCC1)N

InChI

InChI=1S/C9H17N/c1-8(10)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7,10H2,1H3

InChIKey

YLEJNHKGVADOTF-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 139.1361 Da
Monoisotopic Mass: 1.8
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]+	140.143376	132.7
[M+Na]+	162.125318	136.9
[M-H]-	138.128824	135.0
[M+NH4]+	157.169923	153.6
[M+K]+	178.099258	135.6
[M+H-H2O]+	122.133360	127.0
[M+HCOO]-	184.134301	153.7
[M+CH3COO]-	198.149951	177.0
[M+Na-2H]-	160.110766	136.9
[M]+	139.13555142	127.3
[M]-	139.13664858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe