CID 214595

Pyrrolidinium, 1-(1h-indol-3-yl)methylene-, perchlorate

Structural Information

Molecular Formula
C13H15N2
SMILES
C1CC[N+](=CC2=CNC3=CC=CC=C32)C1
InChI
InChI=1S/C13H14N2/c1-2-6-13-12(5-1)11(9-14-13)10-15-7-3-4-8-15/h1-2,5-6,9-10H,3-4,7-8H2/p+1
InChIKey
IZKUHVWSTVWWOJ-UHFFFAOYSA-O
Compound name
3-(pyrrolidin-1-ium-1-ylidenemethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12352 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13080 146.3
[M+Na]+ 222.11274 154.3
[M-H]- 198.11624 150.4
[M+NH4]+ 217.15734 166.3
[M+K]+ 238.08668 143.7
[M+H-H2O]+ 182.12078 141.4
[M+HCOO]- 244.12172 166.8
[M+CH3COO]- 258.13737 173.2
[M+Na-2H]- 220.09819 152.3
[M]+ 199.12297 141.7
[M]- 199.12407 141.7
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.