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 157.1
[M+Na]+ 242.08999 165.0
[M-H]- 218.09349 159.0
[M+NH4]+ 237.13459 169.1
[M+K]+ 258.06393 162.1
[M+H-H2O]+ 202.09803 140.8
[M+HCOO]- 264.09897 166.9
[M+CH3COO]- 278.11462 217.9
[M+Na-2H]- 240.07544 156.0
[M]+ 219.10022 148.4
[M]- 219.10132 148.4
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

No patent data available for this compound.