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]+ 237.15976 157.6
[M+Na]+ 259.14170 162.6
[M-H]- 235.14520 160.3
[M+NH4]+ 254.18630 179.9
[M+K]+ 275.11564 160.6
[M+H-H2O]+ 219.14974 152.4
[M+HCOO]- 281.15068 179.7
[M+CH3COO]- 295.16633 197.9
[M+Na-2H]- 257.12715 158.2
[M]+ 236.15193 157.4
[M]- 236.15303 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.