CID 15049771

3-ferrocenylpropionic anhydride

Structural Information

Molecular Formula
C16H26O3
SMILES
C1CCC(C1)CCC(=O)OC(=O)CCC2CCCC2
InChI
InChI=1S/C16H26O3/c17-15(11-9-13-5-1-2-6-13)19-16(18)12-10-14-7-3-4-8-14/h13-14H,1-12H2
InChIKey
RLMLQWBFNRHILI-UHFFFAOYSA-N
Compound name
3-cyclopentylpropanoyl 3-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

266.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 170.9
[M+Na]+ 289.177418 172.2
[M-H]- 265.180924 175.6
[M+NH4]+ 284.222023 189.9
[M+K]+ 305.151358 170.5
[M+H-H2O]+ 249.185460 164.2
[M+HCOO]- 311.186401 189.1
[M+CH3COO]- 325.202051 194.5
[M+Na-2H]- 287.162866 166.5
[M]+ 266.18765142 167.8
[M]- 266.18874858 167.8
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