CID 13035164

1,3,5,7-tetramethyldecyl formate

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCC(C)CC(C)CC(C)CC(C)OC=O
InChI
InChI=1S/C15H30O2/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)17-11-16/h11-15H,6-10H2,1-5H3
InChIKey
ZHNKUABLESCWOF-UHFFFAOYSA-N
Compound name
4,6,8-trimethylundecan-2-yl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

242.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 165.9
[M+Na]+ 265.21380 168.9
[M-H]- 241.21730 165.0
[M+NH4]+ 260.25840 183.5
[M+K]+ 281.18774 168.5
[M+H-H2O]+ 225.22184 160.2
[M+HCOO]- 287.22278 183.5
[M+CH3COO]- 301.23843 200.7
[M+Na-2H]- 263.19925 163.2
[M]+ 242.22403 170.3
[M]- 242.22513 170.3
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