CID 165805336

En300-1287055

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NC1(C[C@H]2[C@@H]1COC2)CC(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-13(5-10(15)16)4-8-6-18-7-9(8)13/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t8-,9+,13?/m1/s1
InChIKey
SAPBDKBLLYLZLG-LSOTWWMFSA-N
Compound name
2-[(1S,5S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxabicyclo[3.2.0]heptan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 162.8
[M+Na]+ 294.13119 165.3
[M-H]- 270.13469 165.7
[M+NH4]+ 289.17579 174.7
[M+K]+ 310.10513 169.1
[M+H-H2O]+ 254.13923 154.0
[M+HCOO]- 316.14017 177.8
[M+CH3COO]- 330.15582 198.7
[M+Na-2H]- 292.11664 166.0
[M]+ 271.14142 172.6
[M]- 271.14252 172.6
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.