CID 85896840

(+)-tetrahydro-6-heneicosyl-2h-pyran-2-one

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(27)28-25/h25H,2-24H2,1H3
InChIKey
QMWWHIYRYXABJH-UHFFFAOYSA-N
Compound name
6-henicosyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.38107 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 211.1
[M+Na]+ 417.37029 209.3
[M-H]- 393.37379 211.1
[M+NH4]+ 412.41489 221.0
[M+K]+ 433.34423 205.1
[M+H-H2O]+ 377.37833 202.1
[M+HCOO]- 439.37927 225.2
[M+CH3COO]- 453.39492 227.7
[M+Na-2H]- 415.35574 207.4
[M]+ 394.38052 216.0
[M]- 394.38162 216.0
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