CID 15378327

1-(1h-indol-3-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CC1(C2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C12H11NO2/c14-11(15)12(5-6-12)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5-6H2,(H,14,15)
InChIKey
UWIGTFNHRGPKSM-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.3
[M+Na]+ 224.068198 153.6
[M-H]- 200.071704 147.6
[M+NH4]+ 219.112803 158.7
[M+K]+ 240.042138 148.6
[M+H-H2O]+ 184.076240 137.0
[M+HCOO]- 246.077181 163.4
[M+CH3COO]- 260.092831 155.3
[M+Na-2H]- 222.053646 149.1
[M]+ 201.07843142 144.6
[M]- 201.07952858 144.6
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