CID 2512614

(2e)-3-[1-(2-cyanoethyl)-1h-indol-3-yl]prop-2-enoic acid

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)O
InChI
InChI=1S/C14H12N2O2/c15-8-3-9-16-10-11(6-7-14(17)18)12-4-1-2-5-13(12)16/h1-2,4-7,10H,3,9H2,(H,17,18)/b7-6+
InChIKey
UJSPGFDSPNNZFP-VOTSOKGWSA-N
Compound name
(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 157.9
[M+Na]+ 263.07909 169.1
[M-H]- 239.08259 159.2
[M+NH4]+ 258.12369 174.4
[M+K]+ 279.05303 162.6
[M+H-H2O]+ 223.08713 144.4
[M+HCOO]- 285.08807 176.1
[M+CH3COO]- 299.10372 200.9
[M+Na-2H]- 261.06454 161.1
[M]+ 240.08932 154.9
[M]- 240.09042 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.