CID 88903

85805-66-9

Structural Information

Molecular Formula
C11H17N2
SMILES
CN1CCC[C@H]1C2=C[N+](=CC=C2)C
InChI
InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1
InChIKey
HIOROZIUERMMRQ-NSHDSACASA-N
Compound name
1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

103
Patents

177.13918 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14646 140.9
[M+Na]+ 200.12840 148.5
[M-H]- 176.13190 145.1
[M+NH4]+ 195.17300 160.1
[M+K]+ 216.10234 140.5
[M+H-H2O]+ 160.13644 135.8
[M+HCOO]- 222.13738 161.3
[M+CH3COO]- 236.15303 174.8
[M+Na-2H]- 198.11385 146.8
[M]+ 177.13863 137.4
[M]- 177.13973 137.4
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.