CID 154850454

2751692-40-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NC[C@@]12C[C@H](CO1)[C@H](C2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13-4-8(6-18-13)9(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t8-,9+,13+/m1/s1
InChIKey
DFNMHQDSJRRRHA-ZDMBXUJBSA-N
Compound name
(1S,4S,5S)-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 163.1
[M+Na]+ 294.13119 167.9
[M-H]- 270.13469 164.8
[M+NH4]+ 289.17579 184.1
[M+K]+ 310.10513 168.2
[M+H-H2O]+ 254.13923 160.5
[M+HCOO]- 316.14017 179.3
[M+CH3COO]- 330.15582 195.4
[M+Na-2H]- 292.11664 166.8
[M]+ 271.14142 164.9
[M]- 271.14252 164.9
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.