CID 14624055

127267-57-6

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1(C2=C(C=C(C=C2)C(=O)O)NC1=O)C
InChI
InChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKey
ARPWLTXDPCHBLE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

205.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.4
[M+Na]+ 228.06312 152.4
[M-H]- 204.06662 143.8
[M+NH4]+ 223.10772 164.0
[M+K]+ 244.03706 148.7
[M+H-H2O]+ 188.07116 137.9
[M+HCOO]- 250.07210 161.2
[M+CH3COO]- 264.08775 181.0
[M+Na-2H]- 226.04857 146.4
[M]+ 205.07335 141.8
[M]- 205.07445 141.8
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