CID 139594154

Ns00064694

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)/C(=C\C1CCC2CC1C2(C)C)/C#N
InChI
InChI=1S/C15H21NO2/c1-4-18-14(17)11(9-16)7-10-5-6-12-8-13(10)15(12,2)3/h7,10,12-13H,4-6,8H2,1-3H3/b11-7-
InChIKey
AHMURUIVXKUDHR-XFFZJAGNSA-N
Compound name
ethyl (Z)-2-cyano-3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 170.4
[M+Na]+ 270.146448 177.0
[M-H]- 246.149954 170.0
[M+NH4]+ 265.191053 186.0
[M+K]+ 286.120388 174.3
[M+H-H2O]+ 230.154490 156.7
[M+HCOO]- 292.155431 178.7
[M+CH3COO]- 306.171081 212.6
[M+Na-2H]- 268.131896 174.6
[M]+ 247.15668142 176.7
[M]- 247.15777858 176.7
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.