CID 3057984

1-(1-methyl-1h-indol-3-yl)methylenepyrrolidinium perchlorate

Structural Information

Molecular Formula
C14H17N2
SMILES
CN1C=C(C2=CC=CC=C21)C=[N+]3CCCC3
InChI
InChI=1S/C14H17N2/c1-15-10-12(11-16-8-4-5-9-16)13-6-2-3-7-14(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3/q+1
InChIKey
QGBPQLVTZHTUNP-UHFFFAOYSA-N
Compound name
1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13918 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14646 150.9
[M+Na]+ 236.12840 159.8
[M-H]- 212.13190 156.5
[M+NH4]+ 231.17300 171.3
[M+K]+ 252.10234 149.8
[M+H-H2O]+ 196.13644 145.8
[M+HCOO]- 258.13738 172.5
[M+CH3COO]- 272.15303 179.9
[M+Na-2H]- 234.11385 156.0
[M]+ 213.13863 148.7
[M]- 213.13973 148.7
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.