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]+ 202.08626 140.6
[M+Na]+ 224.06820 151.9
[M-H]- 200.07170 145.8
[M+NH4]+ 219.11280 155.4
[M+K]+ 240.04214 146.1
[M+H-H2O]+ 184.07624 134.7
[M+HCOO]- 246.07718 162.0
[M+CH3COO]- 260.09283 153.6
[M+Na-2H]- 222.05365 145.8
[M]+ 201.07843 142.9
[M]- 201.07953 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