CID 119919

Dodecyl formate

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCCCCCCCCCCOC=O
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3
InChIKey
WPSGFSPBRBRLIQ-UHFFFAOYSA-N
Compound name
dodecyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5451
Patents

214.19328 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.20056 154.3
[M+Na]+ 237.18250 163.6
[M+NH4]+ 232.22710 161.1
[M+K]+ 253.15644 155.9
[M-H]- 213.18600 153.4
[M+Na-2H]- 235.16795 156.6
[M]+ 214.19273 155.1
[M]- 214.19383 155.1
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