CID 145915426

2402828-70-8

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1(C2=CC=CC=C2NC1(C)C(=O)O)C
InChI
InChI=1S/C12H15NO2/c1-11(2)8-6-4-5-7-9(8)13-12(11,3)10(14)15/h4-7,13H,1-3H3,(H,14,15)
InChIKey
FMEJQFUOVWBUBV-UHFFFAOYSA-N
Compound name
2,3,3-trimethyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.0
[M+Na]+ 228.09950 154.5
[M-H]- 204.10300 146.3
[M+NH4]+ 223.14410 168.5
[M+K]+ 244.07344 150.8
[M+H-H2O]+ 188.10754 140.8
[M+HCOO]- 250.10848 163.1
[M+CH3COO]- 264.12413 181.2
[M+Na-2H]- 226.08495 150.2
[M]+ 205.10973 144.0
[M]- 205.11083 144.0
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

No patent data available for this compound.