CID 12335

1-iodopentane

Structural Information

Molecular Formula
C5H11I
SMILES
CCCCCI
InChI
InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey
BLXSFCHWMBESKV-UHFFFAOYSA-N
Compound name
1-iodopentane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

19079
Patents

197.99055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99783 128.1
[M+Na]+ 220.97977 128.5
[M-H]- 196.98327 121.8
[M+NH4]+ 216.02437 146.9
[M+K]+ 236.95371 134.1
[M+H-H2O]+ 180.98781 120.4
[M+HCOO]- 242.98875 146.9
[M+CH3COO]- 257.00440 176.7
[M+Na-2H]- 218.96522 123.0
[M]+ 197.99000 126.6
[M]- 197.99110 126.6
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