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]+ 267.19548 170.9
[M+Na]+ 289.17742 172.2
[M-H]- 265.18092 175.6
[M+NH4]+ 284.22202 189.9
[M+K]+ 305.15136 170.5
[M+H-H2O]+ 249.18546 164.2
[M+HCOO]- 311.18640 189.1
[M+CH3COO]- 325.20205 194.5
[M+Na-2H]- 287.16287 166.5
[M]+ 266.18765 167.8
[M]- 266.18875 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