CID 3053084

Spiro(indoline-3,3'-pyrrolidine), 1'-methyl-, oxalate (2:3)

Structural Information

Molecular Formula
C12H16N2
SMILES
CN1CCC2(C1)CNC3=CC=CC=C23
InChI
InChI=1S/C12H16N2/c1-14-7-6-12(9-14)8-13-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChIKey
BWJNOOGWEYJEEY-UHFFFAOYSA-N
Compound name
1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

188.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 144.0
[M+Na]+ 211.120568 152.0
[M-H]- 187.124074 146.6
[M+NH4]+ 206.165173 167.2
[M+K]+ 227.094508 147.7
[M+H-H2O]+ 171.128610 137.0
[M+HCOO]- 233.129551 162.1
[M+CH3COO]- 247.145201 156.3
[M+Na-2H]- 209.106016 147.6
[M]+ 188.13080142 139.1
[M]- 188.13189858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe