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

4476
Patents

242.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 157.8
[M+Na]+ 265.09475 167.6
[M-H]- 241.09825 160.0
[M+NH4]+ 260.13935 174.8
[M+K]+ 281.06869 162.4
[M+H-H2O]+ 225.10279 144.5
[M+HCOO]- 287.10373 174.0
[M+CH3COO]- 301.11938 203.9
[M+Na-2H]- 263.08020 159.0
[M]+ 242.10498 153.5
[M]- 242.10608 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