CID 99857

Nsc 241412

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCNC(=O)C1C2CC(C1C(=O)NCC)C=C2
InChI
InChI=1S/C13H20N2O2/c1-3-14-12(16)10-8-5-6-9(7-8)11(10)13(17)15-4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKey
LLROVILGAJVIPP-UHFFFAOYSA-N
Compound name
2-N,3-N-diethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 157.6
[M+Na]+ 259.141698 162.6
[M-H]- 235.145204 160.3
[M+NH4]+ 254.186303 179.9
[M+K]+ 275.115638 160.6
[M+H-H2O]+ 219.149740 152.4
[M+HCOO]- 281.150681 179.7
[M+CH3COO]- 295.166331 197.9
[M+Na-2H]- 257.127146 158.2
[M]+ 236.15193142 157.4
[M]- 236.15302858 157.4
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.