CID 3047411

Vufb-10554

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC2=CC3=C(CNCC3)C=C2C1

InChI

InChI=1S/C12H15N/c1-2-9-6-11-4-5-13-8-12(11)7-10(9)3-1/h6-7,13H,1-5,8H2

InChIKey

FXIHFOMUUAGWCB-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.12045 Da
Monoisotopic Mass: 2.2
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]+	174.12773	137.4
[M+Na]+	196.10967	143.8
[M-H]-	172.11317	139.2
[M+NH4]+	191.15427	159.4
[M+K]+	212.08361	139.2
[M+H-H2O]+	156.11771	131.0
[M+HCOO]-	218.11865	154.3
[M+CH3COO]-	232.13430	149.3
[M+Na-2H]-	194.09512	143.2
[M]+	173.11990	131.3
[M]-	173.12100	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe