CID 12156826

Nsc 80275

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CN(C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)C=C3
InChI
InChI=1S/C11H14N2O2/c1-12(2)13-10(14)8-6-3-4-7(5-6)9(8)11(13)15/h3-4,6-9H,5H2,1-2H3/t6-,7+,8-,9+
InChIKey
XVMSRSMVAUOQCB-SPJNRGJMSA-N
Compound name
(1R,2S,6R,7S)-4-(dimethylamino)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.0
[M+Na]+ 229.09475 152.8
[M+NH4]+ 224.13935 153.7
[M+K]+ 245.06869 153.7
[M-H]- 205.09825 145.0
[M+Na-2H]- 227.08020 144.5
[M]+ 206.10498 145.7
[M]- 206.10608 145.7
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.