CID 30033653

1114596-35-8

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=C(C2=C(N1)CCCC2=O)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-5-8(10(13)14)9-6(11-5)3-2-4-7(9)12/h11H,2-4H2,1H3,(H,13,14)
InChIKey
YQLHXRVURXSSNP-UHFFFAOYSA-N
Compound name
2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.2
[M+Na]+ 216.06312 148.5
[M-H]- 192.06662 141.0
[M+NH4]+ 211.10772 160.1
[M+K]+ 232.03706 145.1
[M+H-H2O]+ 176.07116 135.1
[M+HCOO]- 238.07210 157.8
[M+CH3COO]- 252.08775 178.8
[M+Na-2H]- 214.04857 142.4
[M]+ 193.07335 137.4
[M]- 193.07445 137.4
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.