CID 10821481

298210-01-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1C2C1(NCC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C11H11NO2/c13-10(14)11-5-9(11)8-4-2-1-3-7(8)6-12-11/h1-4,9,12H,5-6H2,(H,13,14)

InChIKey

ZMBCPKWGAHHDLH-UHFFFAOYSA-N

Compound name

1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.07898 Da
Monoisotopic Mass: -1.6
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]+	190.08626	143.8
[M+Na]+	212.06820	157.3
[M+NH4]+	207.11280	154.5
[M+K]+	228.04214	150.8
[M-H]-	188.07170	152.0
[M+Na-2H]-	210.05365	151.9
[M]+	189.07843	149.3
[M]-	189.07953	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.