CID 79455

1,2,3,3-tetramethyl-3h-indolium iodide

Structural Information

Molecular Formula
C12H16N
SMILES
CC1=[N+](C2=CC=CC=C2C1(C)C)C
InChI
InChI=1S/C12H16N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1-4H3/q+1
InChIKey
AKQUHUJZRFFZOO-UHFFFAOYSA-N
Compound name
1,2,3,3-tetramethylindol-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

768
Patents

174.12828 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13556 137.2
[M+Na]+ 197.11750 148.6
[M-H]- 173.12100 141.9
[M+NH4]+ 192.16210 161.8
[M+K]+ 213.09144 140.0
[M+H-H2O]+ 157.12554 134.8
[M+HCOO]- 219.12648 160.0
[M+CH3COO]- 233.14213 176.9
[M+Na-2H]- 195.10295 145.9
[M]+ 174.12773 138.5
[M]- 174.12883 138.5
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