CID 116986068

1892461-96-9

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC2=C(C=C1CCC(=O)O)NC3=C2C=NC=C3
InChI
InChI=1S/C14H12N2O2/c17-14(18)4-2-9-1-3-10-11-8-15-6-5-12(11)16-13(10)7-9/h1,3,5-8,16H,2,4H2,(H,17,18)
InChIKey
FFZYKDATHLINEZ-UHFFFAOYSA-N
Compound name
3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.2
[M+Na]+ 263.07909 162.1
[M-H]- 239.08259 153.1
[M+NH4]+ 258.12369 169.8
[M+K]+ 279.05303 156.3
[M+H-H2O]+ 223.08713 145.1
[M+HCOO]- 285.08807 171.0
[M+CH3COO]- 299.10372 164.1
[M+Na-2H]- 261.06454 158.8
[M]+ 240.08932 153.4
[M]- 240.09042 153.4
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

patents stripe