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

118
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

literature stripe

Patent stripe

patents stripe