CID 155820104

2567503-54-0

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CC2CC(C1CC2=O)(C#N)C(=O)O
InChI
InChI=1S/C10H11NO3/c11-5-10(9(13)14)4-6-1-2-7(10)3-8(6)12/h6-7H,1-4H2,(H,13,14)
InChIKey
HNJRKUNPLQUTEA-UHFFFAOYSA-N
Compound name
2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 145.3
[M+Na]+ 216.063118 154.7
[M-H]- 192.066624 142.6
[M+NH4]+ 211.107723 168.4
[M+K]+ 232.037058 147.1
[M+H-H2O]+ 176.071160 136.6
[M+HCOO]- 238.072101 153.7
[M+CH3COO]- 252.087751 197.2
[M+Na-2H]- 214.048566 154.6
[M]+ 193.07335142 141.6
[M]- 193.07444858 141.6
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.

Patent stripe

No patent data available for this compound.