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]+ 207.112806 146.5
[M+Na]+ 229.094748 155.8
[M-H]- 205.098254 151.4
[M+NH4]+ 224.139353 172.8
[M+K]+ 245.068688 154.2
[M+H-H2O]+ 189.102790 142.4
[M+HCOO]- 251.103731 168.6
[M+CH3COO]- 265.119381 193.6
[M+Na-2H]- 227.080196 147.2
[M]+ 206.10498142 148.7
[M]- 206.10607858 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.