CID 3048940

1-acetylspiro(indoline-3,3'-pyrrolidine) oxalate (4:3)

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(=O)N1CC2(CCNC2)C3=CC=CC=C31
InChI
InChI=1S/C13H16N2O/c1-10(16)15-9-13(6-7-14-8-13)11-4-2-3-5-12(11)15/h2-5,14H,6-9H2,1H3
InChIKey
REAUHXJIAWVHRW-UHFFFAOYSA-N
Compound name
1-spiro[2H-indole-3,3'-pyrrolidine]-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 151.6
[M+Na]+ 239.11549 159.1
[M-H]- 215.11899 154.3
[M+NH4]+ 234.16009 173.6
[M+K]+ 255.08943 155.0
[M+H-H2O]+ 199.12353 144.7
[M+HCOO]- 261.12447 168.8
[M+CH3COO]- 275.14012 163.3
[M+Na-2H]- 237.10094 153.7
[M]+ 216.12572 147.1
[M]- 216.12682 147.1
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

No patent data available for this compound.