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]+ 194.08118 145.3
[M+Na]+ 216.06312 154.7
[M-H]- 192.06662 142.6
[M+NH4]+ 211.10772 168.4
[M+K]+ 232.03706 147.1
[M+H-H2O]+ 176.07116 136.6
[M+HCOO]- 238.07210 153.7
[M+CH3COO]- 252.08775 197.2
[M+Na-2H]- 214.04857 154.6
[M]+ 193.07335 141.6
[M]- 193.07445 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.