CID 3056268

73664-15-0

Structural Information

Molecular Formula
C12H19N2O3
SMILES
C[N+](C)(C)CN1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C12H19N2O3/c1-14(2,3)6-13-11(15)9-7-4-5-8(17-7)10(9)12(13)16/h7-10H,4-6H2,1-3H3/q+1
InChIKey
CUEWDHGLCKOAOP-UHFFFAOYSA-N
Compound name
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14685 148.9
[M+Na]+ 262.12879 157.7
[M+NH4]+ 257.17339 157.9
[M+K]+ 278.10273 160.3
[M-H]- 238.13229 150.9
[M+Na-2H]- 260.11424 148.1
[M]+ 239.13902 150.7
[M]- 239.14012 150.7
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

No patent data available for this compound.