CID 14382056

72431-85-7

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(=O)NC1(CC2CC1C=C2)C(=O)OC
InChI
InChI=1S/C11H15NO3/c1-7(13)12-11(10(14)15-2)6-8-3-4-9(11)5-8/h3-4,8-9H,5-6H2,1-2H3,(H,12,13)
InChIKey
RUTMULAEKSLWQD-UHFFFAOYSA-N
Compound name
methyl 2-acetamidobicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.9
[M+Na]+ 232.09442 154.8
[M-H]- 208.09792 151.0
[M+NH4]+ 227.13902 173.5
[M+K]+ 248.06836 153.6
[M+H-H2O]+ 192.10246 144.1
[M+HCOO]- 254.10340 169.9
[M+CH3COO]- 268.11905 187.3
[M+Na-2H]- 230.07987 151.1
[M]+ 209.10465 149.2
[M]- 209.10575 149.2
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.