CID 374709

Nsc652894

Structural Information

Molecular Formula
C10H13O5P
SMILES
C1C2CC3(C2C=C(C1C3)P(=O)(O)O)C(=O)O
InChI
InChI=1S/C10H13O5P/c11-9(12)10-3-5-1-6(4-10)8(2-7(5)10)16(13,14)15/h2,5-7H,1,3-4H2,(H,11,12)(H2,13,14,15)
InChIKey
SXBBKMOVSMMCCS-UHFFFAOYSA-N
Compound name
4-phosphonotricyclo[3.3.1.02,7]non-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05006 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05734 167.7
[M+Na]+ 267.03928 170.2
[M-H]- 243.04278 162.0
[M+NH4]+ 262.08388 183.9
[M+K]+ 283.01322 171.6
[M+H-H2O]+ 227.04732 156.8
[M+HCOO]- 289.04826 176.6
[M+CH3COO]- 303.06391 197.4
[M+Na-2H]- 265.02473 174.7
[M]+ 244.04951 178.8
[M]- 244.05061 178.8
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.