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
2
Annotation Hits

0
References

6785
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 155.4
[M+Na]+ 237.18250 160.0
[M-H]- 213.18600 154.4
[M+NH4]+ 232.22710 174.2
[M+K]+ 253.15644 158.3
[M+H-H2O]+ 197.19054 149.5
[M+HCOO]- 259.19148 177.6
[M+CH3COO]- 273.20713 191.5
[M+Na-2H]- 235.16795 158.8
[M]+ 214.19273 161.6
[M]- 214.19383 161.6
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