CID 71145

Ns00123627

Structural Information

Molecular Formula
C12H15NO4
SMILES
C[C@@]12[C@H]3C[C@@H]([C@@H]1[C@H](OC2=O)OC(=O)NC)C=C3
InChI
InChI=1S/C12H15NO4/c1-12-7-4-3-6(5-7)8(12)9(16-10(12)14)17-11(15)13-2/h3-4,6-9H,5H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,12+/m0/s1
InChIKey
MXOODDWXGVXURP-HRYDXZTJSA-N
Compound name
[(1R,2S,3R,6R,7S)-6-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 151.6
[M+Na]+ 260.089328 160.2
[M-H]- 236.092834 156.8
[M+NH4]+ 255.133933 177.8
[M+K]+ 276.063268 159.2
[M+H-H2O]+ 220.097370 149.5
[M+HCOO]- 282.098311 172.5
[M+CH3COO]- 296.113961 192.8
[M+Na-2H]- 258.074776 154.8
[M]+ 237.09956142 155.0
[M]- 237.10065858 155.0
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.