CID 3048942

1-acetyl-1'-allylspiro(indoline-3,3'-pyrrolidine) oxalate

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(=O)N1CC2(CCN(C2)CC=C)C3=CC=CC=C31
InChI
InChI=1S/C16H20N2O/c1-3-9-17-10-8-16(11-17)12-18(13(2)19)15-7-5-4-6-14(15)16/h3-7H,1,8-12H2,2H3
InChIKey
QYDWLWYYFOIVMU-UHFFFAOYSA-N
Compound name
1-(1'-prop-2-enylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 163.4
[M+Na]+ 279.146778 171.2
[M-H]- 255.150284 167.3
[M+NH4]+ 274.191383 184.7
[M+K]+ 295.120718 166.6
[M+H-H2O]+ 239.154820 156.1
[M+HCOO]- 301.155761 181.2
[M+CH3COO]- 315.171411 174.8
[M+Na-2H]- 277.132226 163.7
[M]+ 256.15701142 161.4
[M]- 256.15810858 161.4
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

No patent data available for this compound.