CID 137942949

2260936-11-4

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NCC12CCC(C1)(CO2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-13-5-4-12(6-13,8-18-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
GGJBRCAZJGKOGH-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 162.5
[M+Na]+ 294.13119 167.6
[M-H]- 270.13469 164.1
[M+NH4]+ 289.17579 185.3
[M+K]+ 310.10513 167.9
[M+H-H2O]+ 254.13923 160.6
[M+HCOO]- 316.14017 178.7
[M+CH3COO]- 330.15582 193.8
[M+Na-2H]- 292.11664 168.3
[M]+ 271.14142 164.5
[M]- 271.14252 164.5
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.