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]+ 241.097146 157.9
[M+Na]+ 263.079088 169.1
[M-H]- 239.082594 159.2
[M+NH4]+ 258.123693 174.4
[M+K]+ 279.053028 162.6
[M+H-H2O]+ 223.087130 144.4
[M+HCOO]- 285.088071 176.1
[M+CH3COO]- 299.103721 200.9
[M+Na-2H]- 261.064536 161.1
[M]+ 240.08932142 154.9
[M]- 240.09041858 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.