CID 560276

Formyl 2,6,10-trimethyl-tridecanoate

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCC(C)CCCC(C)CCCC(C)C(=O)OC
InChI
InChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3
InChIKey
AJQKJNYTUWSMBZ-UHFFFAOYSA-N
Compound name
methyl 2,6,10-trimethyltridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

270.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.263176 175.5
[M+Na]+ 293.245118 177.8
[M-H]- 269.248624 174.2
[M+NH4]+ 288.289723 192.0
[M+K]+ 309.219058 176.8
[M+H-H2O]+ 253.253160 169.4
[M+HCOO]- 315.254101 192.4
[M+CH3COO]- 329.269751 206.0
[M+Na-2H]- 291.230566 171.7
[M]+ 270.25535142 180.5
[M]- 270.25644858 180.5
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