CID 20274

1-iodoheptane

Structural Information

Molecular Formula
C7H15I
SMILES
CCCCCCCI
InChI
InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
LMHCYRULPLGEEZ-UHFFFAOYSA-N
Compound name
1-iodoheptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1854
Patents

226.02185 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02913 137.9
[M+Na]+ 249.01107 137.5
[M-H]- 225.01457 131.2
[M+NH4]+ 244.05567 155.6
[M+K]+ 264.98501 142.6
[M+H-H2O]+ 209.01911 129.8
[M+HCOO]- 271.02005 156.0
[M+CH3COO]- 285.03570 182.4
[M+Na-2H]- 246.99652 131.7
[M]+ 226.02130 137.1
[M]- 226.02240 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe