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]+ 231.14918 153.8
[M+Na]+ 253.13112 159.7
[M-H]- 229.13462 157.6
[M+NH4]+ 248.17572 171.4
[M+K]+ 269.10506 155.6
[M+H-H2O]+ 213.13916 145.0
[M+HCOO]- 275.14010 170.7
[M+CH3COO]- 289.15575 164.7
[M+Na-2H]- 251.11657 156.4
[M]+ 230.14135 149.0
[M]- 230.14245 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