CID 13463770

101046-32-6

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

C1CC(=O)[C@@H]2[C@H]1CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C14H17NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m1/s1

InChIKey

DLTLETIGPVMJIX-OLZOCXBDSA-N

Compound name

(3aR,6aS)-2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 215.13101 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]+	216.138286	150.1
[M+Na]+	238.120228	157.0
[M-H]-	214.123734	156.1
[M+NH4]+	233.164833	171.8
[M+K]+	254.094168	153.3
[M+H-H2O]+	198.128270	143.3
[M+HCOO]-	260.129211	170.7
[M+CH3COO]-	274.144861	162.7
[M+Na-2H]-	236.105676	151.2
[M]+	215.13046142	147.3
[M]-	215.13155858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe