CID 741244

Ethyl cyano(1-(cyanomethyl)-2-pyrrolidinylidene)acetate

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCOC(=O)/C(=C/1\CCCN1CC#N)/C#N
InChI
InChI=1S/C11H13N3O2/c1-2-16-11(15)9(8-13)10-4-3-6-14(10)7-5-12/h2-4,6-7H2,1H3/b10-9+
InChIKey
BEPRCPNQULUTEM-MDZDMXLPSA-N
Compound name
ethyl (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 172.7
[M+Na]+ 242.08999 178.6
[M+NH4]+ 237.13459 172.0
[M+K]+ 258.06393 170.4
[M-H]- 218.09349 160.9
[M+Na-2H]- 240.07544 169.3
[M]+ 219.10022 168.6
[M]- 219.10132 168.6
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.

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No patent data available for this compound.