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
4
Annotation Hits

2418
References

15240
Patents

170.09697 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10425 137.0
[M+Na]+ 193.08619 145.4
[M-H]- 169.08969 142.9
[M+NH4]+ 188.13079 155.8
[M+K]+ 209.06013 136.5
[M+H-H2O]+ 153.09423 132.3
[M+HCOO]- 215.09517 160.5
[M+CH3COO]- 229.11082 173.5
[M+Na-2H]- 191.07164 147.7
[M]+ 170.09642 135.1
[M]- 170.09752 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