CID 260386

Ethyl alpha-cyano-2-norbornaneacetate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC(=O)C(C#N)C1CC2CCC1C2
InChI
InChI=1S/C12H17NO2/c1-2-15-12(14)11(7-13)10-6-8-3-4-9(10)5-8/h8-11H,2-6H2,1H3
InChIKey
XQMXGJZFEYPEDM-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 152.1
[M+Na]+ 230.11515 160.5
[M-H]- 206.11865 154.3
[M+NH4]+ 225.15975 173.7
[M+K]+ 246.08909 155.9
[M+H-H2O]+ 190.12319 140.8
[M+HCOO]- 252.12413 168.0
[M+CH3COO]- 266.13978 198.6
[M+Na-2H]- 228.10060 152.3
[M]+ 207.12538 147.2
[M]- 207.12648 147.2
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.