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

37
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 150.1
[M+Na]+ 238.12023 157.0
[M-H]- 214.12373 156.1
[M+NH4]+ 233.16483 171.8
[M+K]+ 254.09417 153.3
[M+H-H2O]+ 198.12827 143.3
[M+HCOO]- 260.12921 170.7
[M+CH3COO]- 274.14486 162.7
[M+Na-2H]- 236.10568 151.2
[M]+ 215.13046 147.3
[M]- 215.13156 147.3
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