CID 10943213

89169-57-3

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

COC1=CC2=C(C=C1)NC3=C2CCC3

InChI

InChI=1S/C12H13NO/c1-14-8-5-6-12-10(7-8)9-3-2-4-11(9)13-12/h5-7,13H,2-4H2,1H3

InChIKey

HONJGUSMTAVGKM-UHFFFAOYSA-N

Compound name

7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 187.09972 Da
Monoisotopic Mass: 2.7
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]+	188.10700	138.7
[M+Na]+	210.08894	151.5
[M+NH4]+	205.13354	148.8
[M+K]+	226.06288	147.9
[M-H]-	186.09244	140.9
[M+Na-2H]-	208.07439	143.9
[M]+	187.09917	141.1
[M]-	187.10027	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe