CID 540779

2-iodoethyl myristate

Structural Information

Molecular Formula
C16H31IO2
SMILES
CCCCCCCCCCCCCC(=O)OCCI
InChI
InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3
InChIKey
HTORKFYAKCXIKR-UHFFFAOYSA-N
Compound name
2-iodoethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.13687 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.144146 188.5
[M+Na]+ 405.126088 184.6
[M-H]- 381.129594 180.1
[M+NH4]+ 400.170693 200.0
[M+K]+ 421.100028 187.8
[M+H-H2O]+ 365.134130 178.1
[M+HCOO]- 427.135071 203.2
[M+CH3COO]- 441.150721 210.5
[M+Na-2H]- 403.111536 175.7
[M]+ 382.13632142 192.1
[M]- 382.13741858 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.