CID 12527

1-iodohexane

Structural Information

Molecular Formula
C6H13I
SMILES
CCCCCCI
InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
ANOOTOPTCJRUPK-UHFFFAOYSA-N
Compound name
1-iodohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

8572
Patents

212.0062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01348 133.0
[M+Na]+ 234.99542 133.0
[M-H]- 210.99892 126.5
[M+NH4]+ 230.04002 151.2
[M+K]+ 250.96936 138.4
[M+H-H2O]+ 195.00346 125.1
[M+HCOO]- 257.00440 151.4
[M+CH3COO]- 271.02005 179.5
[M+Na-2H]- 232.98087 127.3
[M]+ 212.00565 131.9
[M]- 212.00675 131.9
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