CID 165653736

2751611-12-6

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCOC2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-13(9(15)16)6-12(7-13)4-5-18-8-12/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
XZSPEJALGWSVIN-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 161.6
[M+Na]+ 294.131188 164.0
[M-H]- 270.134694 165.9
[M+NH4]+ 289.175793 174.6
[M+K]+ 310.105128 167.8
[M+H-H2O]+ 254.139230 153.7
[M+HCOO]- 316.140171 176.9
[M+CH3COO]- 330.155821 196.1
[M+Na-2H]- 292.116636 165.9
[M]+ 271.14142142 169.6
[M]- 271.14251858 169.6
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.