CID 41093

Cycloprate

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1CC1
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19/h19H,2-18H2,1H3
InChIKey
NSCKKHGFMYTPBG-UHFFFAOYSA-N
Compound name
hexadecyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2785
Patents

310.28717 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 182.4
[M+Na]+ 333.27639 186.0
[M-H]- 309.27989 184.7
[M+NH4]+ 328.32099 192.8
[M+K]+ 349.25033 181.8
[M+H-H2O]+ 293.28443 174.5
[M+HCOO]- 355.28537 201.9
[M+CH3COO]- 369.30102 212.7
[M+Na-2H]- 331.26184 181.7
[M]+ 310.28662 191.4
[M]- 310.28772 191.4
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