CID 11095706

2260504-85-4

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1C[C@H](NC1)C2(CC3=CC=CC=C3C2)O

InChI

InChI=1S/C13H17NO/c15-13(12-6-3-7-14-12)8-10-4-1-2-5-11(10)9-13/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1

InChIKey

APGOZZJUJJGCGF-LBPRGKRZSA-N

Compound name

2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroinden-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 203.13101 Da
Monoisotopic Mass: 1.5
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]+	204.138286	147.5
[M+Na]+	226.120228	153.9
[M-H]-	202.123734	150.9
[M+NH4]+	221.164833	170.1
[M+K]+	242.094168	149.2
[M+H-H2O]+	186.128270	141.5
[M+HCOO]-	248.129211	165.3
[M+CH3COO]-	262.144861	159.2
[M+Na-2H]-	224.105676	150.1
[M]+	203.13046142	141.4
[M]-	203.13155858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe