CID 83680337

Ns00006673

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C1CCC2=C(N=C3CCCCC3=C2C1)C(=O)O

InChI

InChI=1S/C14H17NO2/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H2,(H,16,17)

InChIKey

WZZJDKJWAKUZFX-UHFFFAOYSA-N

Compound name

1,2,3,4,7,8,9,10-octahydrophenanthridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.12593 Da
Monoisotopic Mass: 3.3
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]+	232.133206	150.9
[M+Na]+	254.115148	156.1
[M-H]-	230.118654	152.4
[M+NH4]+	249.159753	168.5
[M+K]+	270.089088	152.1
[M+H-H2O]+	214.123190	143.6
[M+HCOO]-	276.124131	164.3
[M+CH3COO]-	290.139781	161.2
[M+Na-2H]-	252.100596	155.8
[M]+	231.12538142	145.2
[M]-	231.12647858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.