CID 25631107

148257-14-1

Structural Information

Molecular Formula
C12H17NO5
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)O2
InChI
InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h4-9H,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8-,9+/m1/s1
InChIKey
BDISLHPIKVZWDN-XAVMHZPKSA-N
Compound name
(1R,2S,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11067 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 157.8
[M+Na]+ 278.09989 163.9
[M-H]- 254.10339 160.2
[M+NH4]+ 273.14449 177.8
[M+K]+ 294.07383 164.3
[M+H-H2O]+ 238.10793 154.6
[M+HCOO]- 300.10887 175.8
[M+CH3COO]- 314.12452 193.7
[M+Na-2H]- 276.08534 160.7
[M]+ 255.11012 160.7
[M]- 255.11122 160.7
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.