CID 165508992

Rac-methyl 2-[(1r,5r)-6-amino-3-oxabicyclo[3.2.0]heptan-6-yl]acetate

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)CC1(C[C@H]2[C@@H]1COC2)N
InChI
InChI=1S/C9H15NO3/c1-12-8(11)3-9(10)2-6-4-13-5-7(6)9/h6-7H,2-5,10H2,1H3/t6-,7+,9?/m1/s1
InChIKey
DRNIQESYLCBWOO-CSTAXXSYSA-N
Compound name
methyl 2-[(1S,5S)-6-amino-3-oxabicyclo[3.2.0]heptan-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 137.9
[M+Na]+ 208.094418 142.8
[M-H]- 184.097924 142.3
[M+NH4]+ 203.139023 153.9
[M+K]+ 224.068358 146.2
[M+H-H2O]+ 168.102460 129.0
[M+HCOO]- 230.103401 157.3
[M+CH3COO]- 244.119051 185.4
[M+Na-2H]- 206.079866 142.6
[M]+ 185.10465142 146.4
[M]- 185.10574858 146.4
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.