CID 53428712

Fzwbekgfrmvwmk-uhfffaoysa-n

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCOC(=O)C(=CCC1C2CCC(C2)C1(C)C)C#N
InChI
InChI=1S/C16H23NO2/c1-4-19-15(18)12(10-17)6-8-14-11-5-7-13(9-11)16(14,2)3/h6,11,13-14H,4-5,7-9H2,1-3H3
InChIKey
FZWBEKGFRMVWMK-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 167.5
[M+Na]+ 284.162098 176.7
[M-H]- 260.165604 170.0
[M+NH4]+ 279.206703 189.4
[M+K]+ 300.136038 170.0
[M+H-H2O]+ 244.170140 157.1
[M+HCOO]- 306.171081 182.4
[M+CH3COO]- 320.186731 208.5
[M+Na-2H]- 282.147546 166.4
[M]+ 261.17233142 163.9
[M]- 261.17342858 163.9
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.