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

10
Patents

201.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.3
[M+Na]+ 224.06820 153.6
[M-H]- 200.07170 147.6
[M+NH4]+ 219.11280 158.7
[M+K]+ 240.04214 148.6
[M+H-H2O]+ 184.07624 137.0
[M+HCOO]- 246.07718 163.4
[M+CH3COO]- 260.09283 155.3
[M+Na-2H]- 222.05365 149.1
[M]+ 201.07843 144.6
[M]- 201.07953 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