CID 122601042

5-cyclopropyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CC1C2=CC3=C(C=C2)NC(=C3)C(=O)O
InChI
InChI=1S/C12H11NO2/c14-12(15)11-6-9-5-8(7-1-2-7)3-4-10(9)13-11/h3-7,13H,1-2H2,(H,14,15)
InChIKey
HYFDZIHPJSTLBY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.07898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 140.6
[M+Na]+ 224.068198 151.9
[M-H]- 200.071704 145.8
[M+NH4]+ 219.112803 155.4
[M+K]+ 240.042138 146.1
[M+H-H2O]+ 184.076240 134.7
[M+HCOO]- 246.077181 162.0
[M+CH3COO]- 260.092831 153.6
[M+Na-2H]- 222.053646 145.8
[M]+ 201.07843142 142.9
[M]- 201.07952858 142.9
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