CID 3052855

Brn 2138907

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(=O)NC(=O)NC(=O)C1(CC2CC1C=C2)C
InChI
InChI=1S/C12H16N2O3/c1-7(15)13-11(17)14-10(16)12(2)6-8-3-4-9(12)5-8/h3-4,8-9H,5-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
RWZQMBQGVVHXQL-UHFFFAOYSA-N
Compound name
N-(acetylcarbamoyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 155.0
[M+Na]+ 259.105308 160.6
[M-H]- 235.108814 157.9
[M+NH4]+ 254.149913 179.0
[M+K]+ 275.079248 159.3
[M+H-H2O]+ 219.113350 150.8
[M+HCOO]- 281.114291 176.8
[M+CH3COO]- 295.129941 194.1
[M+Na-2H]- 257.090756 157.1
[M]+ 236.11554142 154.4
[M]- 236.11663858 154.4
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.