CID 3035587

2-iodohexadecanal

Structural Information

Molecular Formula
C16H31IO
SMILES
CCCCCCCCCCCCCCC(C=O)I
InChI
InChI=1S/C16H31IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15-16H,2-14H2,1H3
InChIKey
HMBUZXLDGPYXCY-UHFFFAOYSA-N
Compound name
2-iodohexadecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

9
Patents

366.14197 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14925 184.1
[M+Na]+ 389.13119 180.1
[M-H]- 365.13469 175.7
[M+NH4]+ 384.17579 196.2
[M+K]+ 405.10513 183.0
[M+H-H2O]+ 349.13923 173.9
[M+HCOO]- 411.14017 198.6
[M+CH3COO]- 425.15582 209.4
[M+Na-2H]- 387.11664 171.4
[M]+ 366.14142 186.4
[M]- 366.14252 186.4
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