CID 11458508

3-(iodomethyl)pentane

Structural Information

Molecular Formula
C6H13I
SMILES
CCC(CC)CI
InChI
InChI=1S/C6H13I/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3
InChIKey
FQQKJFCXOKMBTA-UHFFFAOYSA-N
Compound name
3-(iodomethyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

212.0062 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01348 133.0
[M+Na]+ 234.99542 132.8
[M-H]- 210.99892 126.6
[M+NH4]+ 230.04002 151.2
[M+K]+ 250.96936 138.5
[M+H-H2O]+ 195.00346 125.2
[M+HCOO]- 257.00440 150.5
[M+CH3COO]- 271.02005 180.2
[M+Na-2H]- 232.98087 126.1
[M]+ 212.00565 131.2
[M]- 212.00675 131.2
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