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

36
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 134.2
[M+Na]+ 205.047118 144.5
[M-H]- 181.050624 140.0
[M+NH4]+ 200.091723 161.6
[M+K]+ 221.021058 144.6
[M+H-H2O]+ 165.055160 133.6
[M+HCOO]- 227.056101 153.8
[M+CH3COO]- 241.071751 149.4
[M+Na-2H]- 203.032566 139.3
[M]+ 182.05735142 137.3
[M]- 182.05844858 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