CID 952326

1668-06-0

Structural Information

Molecular Formula
C6H7IN
SMILES
C[N+]1=CC=CC=C1I
InChI
InChI=1S/C6H7IN/c1-8-5-3-2-4-6(8)7/h2-5H,1H3/q+1
InChIKey
WTBMMENXWDHRKE-UHFFFAOYSA-N
Compound name
2-iodo-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

219.96233 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.969606 127.2
[M+Na]+ 242.951548 129.6
[M-H]- 218.955054 123.4
[M+NH4]+ 237.996153 143.7
[M+K]+ 258.925488 128.9
[M+H-H2O]+ 202.959590 120.7
[M+HCOO]- 264.960531 145.9
[M+CH3COO]- 278.976181 172.1
[M+Na-2H]- 240.936996 126.1
[M]+ 219.96178142 123.4
[M]- 219.96287858 123.4
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