CID 117693

2,3,3,5-tetramethyl-3h-indole

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC2=C(C=C1)N=C(C2(C)C)C
InChI
InChI=1S/C12H15N/c1-8-5-6-11-10(7-8)12(3,4)9(2)13-11/h5-7H,1-4H3
InChIKey
RQVAPBRSUHSDGP-UHFFFAOYSA-N
Compound name
2,3,3,5-tetramethylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

173.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.0
[M+Na]+ 196.10967 147.6
[M-H]- 172.11317 140.5
[M+NH4]+ 191.15427 161.0
[M+K]+ 212.08361 144.3
[M+H-H2O]+ 156.11771 130.9
[M+HCOO]- 218.11865 159.2
[M+CH3COO]- 232.13430 183.4
[M+Na-2H]- 194.09512 142.5
[M]+ 173.11990 138.6
[M]- 173.12100 138.6
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