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]+ 237.12337 155.0
[M+Na]+ 259.10531 160.6
[M-H]- 235.10881 157.9
[M+NH4]+ 254.14991 179.0
[M+K]+ 275.07925 159.3
[M+H-H2O]+ 219.11335 150.8
[M+HCOO]- 281.11429 176.8
[M+CH3COO]- 295.12994 194.1
[M+Na-2H]- 257.09076 157.1
[M]+ 236.11554 154.4
[M]- 236.11664 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.