CID 174666

7-iodoheptanoic acid

Structural Information

Molecular Formula
C7H13IO2
SMILES
C(CCCI)CCC(=O)O
InChI
InChI=1S/C7H13IO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
InChIKey
ZJMQLPOJWFYMME-UHFFFAOYSA-N
Compound name
7-iodoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

255.99603 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00331 146.6
[M+Na]+ 278.98525 145.8
[M-H]- 254.98875 138.6
[M+NH4]+ 274.02985 162.2
[M+K]+ 294.95919 150.5
[M+H-H2O]+ 238.99329 138.3
[M+HCOO]- 300.99423 162.9
[M+CH3COO]- 315.00988 183.2
[M+Na-2H]- 276.97070 138.2
[M]+ 255.99548 145.4
[M]- 255.99658 145.4
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

patents stripe