CID 131697831

2209086-71-3

Structural Information

Molecular Formula
C7H9IO2
SMILES
C1C2(CC1(C2)I)CC(=O)O
InChI
InChI=1S/C7H9IO2/c8-7-2-6(3-7,4-7)1-5(9)10/h1-4H2,(H,9,10)
InChIKey
PVOFQSLMRHXHOH-UHFFFAOYSA-N
Compound name
2-(3-iodo-1-bicyclo[1.1.1]pentanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.96474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.97202 151.3
[M+Na]+ 274.95396 150.3
[M-H]- 250.95746 148.8
[M+NH4]+ 269.99856 154.8
[M+K]+ 290.92790 159.5
[M+H-H2O]+ 234.96200 137.3
[M+HCOO]- 296.96294 159.9
[M+CH3COO]- 310.97859 208.7
[M+Na-2H]- 272.93941 148.7
[M]+ 251.96419 172.3
[M]- 251.96529 172.3
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.