CID 155978359

2624122-69-4

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)C(CO2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13-4-8(5-13)9(6-18-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
KAIDDIOIZWQXGQ-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 174.8
[M+Na]+ 294.131188 176.3
[M-H]- 270.134694 172.1
[M+NH4]+ 289.175793 188.0
[M+K]+ 310.105128 180.6
[M+H-H2O]+ 254.139230 166.2
[M+HCOO]- 316.140171 182.8
[M+CH3COO]- 330.155821 203.4
[M+Na-2H]- 292.116636 182.9
[M]+ 271.14142142 187.8
[M]- 271.14251858 187.8
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.