CID 238942

3,6-endoxo-3-methylhexahydrophthalic anhydride

Structural Information

Molecular Formula
C9H10O4
SMILES
CC12CCC(O1)C3C2C(=O)OC3=O
InChI
InChI=1S/C9H10O4/c1-9-3-2-4(13-9)5-6(9)8(11)12-7(5)10/h4-6H,2-3H2,1H3
InChIKey
YRQMPRLOYHEHBF-UHFFFAOYSA-N
Compound name
1-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 134.2
[M+Na]+ 205.04712 144.5
[M-H]- 181.05062 140.0
[M+NH4]+ 200.09172 161.6
[M+K]+ 221.02106 144.6
[M+H-H2O]+ 165.05516 133.6
[M+HCOO]- 227.05610 153.8
[M+CH3COO]- 241.07175 149.4
[M+Na-2H]- 203.03257 139.3
[M]+ 182.05735 137.3
[M]- 182.05845 137.3
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