CID 6452460

Einecs 257-266-8

Structural Information

Molecular Formula
C16H26O3
SMILES
CC(C)CCCCCCC/C=C/C1CC(=O)OC1=O
InChI
InChI=1S/C16H26O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h9,11,13-14H,3-8,10,12H2,1-2H3/b11-9+
InChIKey
MFZOUWVHEQAVLP-PKNBQFBNSA-N
Compound name
3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 167.4
[M+Na]+ 289.17742 172.2
[M-H]- 265.18092 170.4
[M+NH4]+ 284.22202 184.7
[M+K]+ 305.15136 170.2
[M+H-H2O]+ 249.18546 161.6
[M+HCOO]- 311.18640 186.7
[M+CH3COO]- 325.20205 199.2
[M+Na-2H]- 287.16287 166.2
[M]+ 266.18765 170.6
[M]- 266.18875 170.6
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

No patent data available for this compound.