CID 263203

2-ethyl-3-propylacrylic anhydride

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCC=C(CC)C(=O)OC(=O)C(=CCCC)CC
InChI
InChI=1S/C16H26O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h11-12H,5-10H2,1-4H3
InChIKey
ORYOKKAEFMIUOF-UHFFFAOYSA-N
Compound name
2-ethylhex-2-enoyl 2-ethylhex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 168.7
[M+Na]+ 289.17742 172.5
[M-H]- 265.18092 167.8
[M+NH4]+ 284.22202 185.4
[M+K]+ 305.15136 170.6
[M+H-H2O]+ 249.18546 163.0
[M+HCOO]- 311.18640 187.0
[M+CH3COO]- 325.20205 200.3
[M+Na-2H]- 287.16287 165.7
[M]+ 266.18765 172.5
[M]- 266.18875 172.5
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