CID 68555043

1047656-03-0

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC2(CCNC2)OC3=CC=CC=C31

InChI

InChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-12(14-11)7-8-13-9-12/h1-4,13H,5-9H2

InChIKey

AJZFKHVALQAIRJ-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydrochromene-2,3'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 189.11537 Da
Monoisotopic Mass: 1.9
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]+	190.12265	141.1
[M+Na]+	212.10459	147.3
[M-H]-	188.10809	144.9
[M+NH4]+	207.14919	162.1
[M+K]+	228.07853	144.4
[M+H-H2O]+	172.11263	134.3
[M+HCOO]-	234.11357	157.6
[M+CH3COO]-	248.12922	153.1
[M+Na-2H]-	210.09004	148.2
[M]+	189.11482	135.0
[M]-	189.11592	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe