CID 90804

22560-84-5

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1CC2=CC=CC=C2N1C=C(C#N)C(=O)OC
InChI
InChI=1S/C14H14N2O2/c1-10-7-11-5-3-4-6-13(11)16(10)9-12(8-15)14(17)18-2/h3-6,9-10H,7H2,1-2H3
InChIKey
IELMCEIHXZGQBI-UHFFFAOYSA-N
Compound name
methyl 2-cyano-3-(2-methyl-2,3-dihydroindol-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4457
Patents

242.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.112806 157.8
[M+Na]+ 265.094748 167.6
[M-H]- 241.098254 160.0
[M+NH4]+ 260.139353 174.8
[M+K]+ 281.068688 162.4
[M+H-H2O]+ 225.102790 144.5
[M+HCOO]- 287.103731 174.0
[M+CH3COO]- 301.119381 203.9
[M+Na-2H]- 263.080196 159.0
[M]+ 242.10498142 153.5
[M]- 242.10607858 153.5
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