CID 13463769

185692-51-7

Structural Information

Molecular Formula
C14H17NO
SMILES
C1CC(=O)C2C1CN(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
InChIKey
DLTLETIGPVMJIX-UHFFFAOYSA-N
Compound name
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

112
Patents

215.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 150.4
[M+Na]+ 238.12023 161.6
[M+NH4]+ 233.16483 159.9
[M+K]+ 254.09417 157.7
[M-H]- 214.12373 153.8
[M+Na-2H]- 236.10568 155.6
[M]+ 215.13046 152.8
[M]- 215.13156 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe