CID 53745103

Schembl14848943

Structural Information

Molecular Formula
C19H38O2
SMILES
CC(C)CCCCCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C19H38O2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-19(20)21-18(3)4/h17-18H,5-16H2,1-4H3
InChIKey
CXHAYMQVPFWTFL-UHFFFAOYSA-N
Compound name
propan-2-yl 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

298.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 184.8
[M+Na]+ 321.276388 186.4
[M-H]- 297.279894 182.9
[M+NH4]+ 316.320993 200.2
[M+K]+ 337.250328 184.4
[M+H-H2O]+ 281.284430 178.1
[M+HCOO]- 343.285371 202.0
[M+CH3COO]- 357.301021 211.0
[M+Na-2H]- 319.261836 181.1
[M]+ 298.28662142 191.2
[M]- 298.28771858 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe