CID 43811203

879687-90-8

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CC2CN(CC2C(=O)C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO/c17-15-8-4-7-13-10-16(11-14(13)15)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKey
CEOKBKQHDGSNSQ-UHFFFAOYSA-N
Compound name
2-benzyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

229.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 154.6
[M+Na]+ 252.13589 166.8
[M+NH4]+ 247.18049 164.3
[M+K]+ 268.10983 160.4
[M-H]- 228.13939 158.7
[M+Na-2H]- 250.12134 160.5
[M]+ 229.14612 157.4
[M]- 229.14722 157.4
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