CID 165508992

En300-1286438

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]+ 186.11248 137.9
[M+Na]+ 208.09442 142.8
[M-H]- 184.09792 142.3
[M+NH4]+ 203.13902 153.9
[M+K]+ 224.06836 146.2
[M+H-H2O]+ 168.10246 129.0
[M+HCOO]- 230.10340 157.3
[M+CH3COO]- 244.11905 185.4
[M+Na-2H]- 206.07987 142.6
[M]+ 185.10465 146.4
[M]- 185.10575 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.