CID 132351209

1190946-29-2

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CN2CC(=O)C[C@H]2CN1CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-14-8-13-10-15(6-7-16(13)11-14)9-12-4-2-1-3-5-12/h1-5,13H,6-11H2/t13-/m0/s1
InChIKey
ZPTXWXVQWSAOBA-ZDUSSCGKSA-N
Compound name
(8aS)-2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.8
[M+Na]+ 253.131118 159.7
[M-H]- 229.134624 157.6
[M+NH4]+ 248.175723 171.4
[M+K]+ 269.105058 155.6
[M+H-H2O]+ 213.139160 145.0
[M+HCOO]- 275.140101 170.7
[M+CH3COO]- 289.155751 164.7
[M+Na-2H]- 251.116566 156.4
[M]+ 230.14135142 149.0
[M]- 230.14244858 149.0
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