CID 205520

Picolinium, 4-isopropyl-, iodide

Structural Information

Molecular Formula
C9H14N
SMILES
CC(C)C1=CC=[N+](C=C1)C
InChI
InChI=1S/C9H14N/c1-8(2)9-4-6-10(3)7-5-9/h4-8H,1-3H3/q+1
InChIKey
CMXBQIXDSZWXAJ-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

136.11263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.119906 128.3
[M+Na]+ 159.101848 136.6
[M-H]- 135.105354 131.3
[M+NH4]+ 154.146453 149.0
[M+K]+ 175.075788 129.8
[M+H-H2O]+ 119.109890 125.2
[M+HCOO]- 181.110831 150.5
[M+CH3COO]- 195.126481 169.5
[M+Na-2H]- 157.087296 137.1
[M]+ 136.11208142 127.4
[M]- 136.11317858 127.4
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

patents stripe