CID 74919

Acrylic anhydride

Structural Information

Molecular Formula
C6H6O3
SMILES
C=CC(=O)OC(=O)C=C
InChI
InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
InChIKey
ARJOQCYCJMAIFR-UHFFFAOYSA-N
Compound name
prop-2-enoyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

22527
Patents

126.03169 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03897 121.7
[M+Na]+ 149.02091 129.8
[M-H]- 125.02441 122.4
[M+NH4]+ 144.06551 143.9
[M+K]+ 164.99485 129.6
[M+H-H2O]+ 109.02895 117.6
[M+HCOO]- 171.02989 145.1
[M+CH3COO]- 185.04554 169.7
[M+Na-2H]- 147.00636 126.6
[M]+ 126.03114 123.2
[M]- 126.03224 123.2
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