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 153.3
[M+Na]+ 262.12879 161.4
[M-H]- 238.13229 158.4
[M+NH4]+ 257.17339 176.8
[M+K]+ 278.10273 155.6
[M+H-H2O]+ 222.13683 153.1
[M+HCOO]- 284.13777 171.7
[M+CH3COO]- 298.15342 191.6
[M+Na-2H]- 260.11424 158.7
[M]+ 239.13902 154.5
[M]- 239.14012 154.5
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

No patent data available for this compound.