CID 39484

Cyperquat

Structural Information

Molecular Formula
C12H12N
SMILES
C[N+]1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey
FMGYKKMPNATWHP-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2420
References

15721
Patents

170.09697 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.104246 137.0
[M+Na]+ 193.086188 145.4
[M-H]- 169.089694 142.9
[M+NH4]+ 188.130793 155.8
[M+K]+ 209.060128 136.5
[M+H-H2O]+ 153.094230 132.3
[M+HCOO]- 215.095171 160.5
[M+CH3COO]- 229.110821 173.5
[M+Na-2H]- 191.071636 147.7
[M]+ 170.09642142 135.1
[M]- 170.09751858 135.1
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