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
(1S,2R,6S,7R)-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 146.5
[M+Na]+ 229.09475 155.8
[M-H]- 205.09825 151.4
[M+NH4]+ 224.13935 172.8
[M+K]+ 245.06869 154.2
[M+H-H2O]+ 189.10279 142.4
[M+HCOO]- 251.10373 168.6
[M+CH3COO]- 265.11938 193.6
[M+Na-2H]- 227.08020 147.2
[M]+ 206.10498 148.7
[M]- 206.10608 148.7
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.