CID 11459540

Methyl 2,6,10-trimethyldodecanoate

Structural Information

Molecular Formula
C16H32O2
SMILES
CCC(C)CCCC(C)CCCC(C)C(=O)OC
InChI
InChI=1S/C16H32O2/c1-6-13(2)9-7-10-14(3)11-8-12-15(4)16(17)18-5/h13-15H,6-12H2,1-5H3
InChIKey
CYGVOXJONVUXQO-UHFFFAOYSA-N
Compound name
methyl 2,6,10-trimethyldodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

157
Patents

256.24023 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 170.8
[M+Na]+ 279.22945 173.5
[M-H]- 255.23295 169.7
[M+NH4]+ 274.27405 187.9
[M+K]+ 295.20339 172.8
[M+H-H2O]+ 239.23749 164.9
[M+HCOO]- 301.23843 188.1
[M+CH3COO]- 315.25408 203.0
[M+Na-2H]- 277.21490 167.6
[M]+ 256.23968 175.5
[M]- 256.24078 175.5
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