CID 110120

3h-indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide

Structural Information

Molecular Formula
C14H20N
SMILES
CC[N+]1=C(C(C2=C1C=CC(=C2)C)(C)C)C
InChI
InChI=1S/C14H20N/c1-6-15-11(3)14(4,5)12-9-10(2)7-8-13(12)15/h7-9H,6H2,1-5H3/q+1
InChIKey
WUWKQZABOJJLQC-UHFFFAOYSA-N
Compound name
1-ethyl-2,3,3,5-tetramethylindol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

202.15958 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16686 145.6
[M+Na]+ 225.14880 157.0
[M-H]- 201.15230 150.3
[M+NH4]+ 220.19340 169.4
[M+K]+ 241.12274 148.0
[M+H-H2O]+ 185.15684 143.2
[M+HCOO]- 247.15778 167.7
[M+CH3COO]- 261.17343 184.0
[M+Na-2H]- 223.13425 152.6
[M]+ 202.15903 148.0
[M]- 202.16013 148.0
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