CID 70205862

208994-28-9

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1[C@H]2COC3=CC=CC=C3[C@@H]2CN1

InChI

InChI=1S/C11H13NO/c1-2-4-11-9(3-1)10-6-12-5-8(10)7-13-11/h1-4,8,10,12H,5-7H2/t8-,10+/m0/s1

InChIKey

FJCAHIFUCPXKCU-WCBMZHEXSA-N

Compound name

(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.09972 Da
Monoisotopic Mass: 1.3
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]+	176.10700	135.1
[M+Na]+	198.08894	142.1
[M-H]-	174.09244	137.8
[M+NH4]+	193.13354	155.8
[M+K]+	214.06288	139.2
[M+H-H2O]+	158.09698	129.0
[M+HCOO]-	220.09792	151.8
[M+CH3COO]-	234.11357	147.6
[M+Na-2H]-	196.07439	142.3
[M]+	175.09917	130.8
[M]-	175.10027	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe