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]+ 272.14925 161.6
[M+Na]+ 294.13119 164.0
[M-H]- 270.13469 165.9
[M+NH4]+ 289.17579 174.6
[M+K]+ 310.10513 167.8
[M+H-H2O]+ 254.13923 153.7
[M+HCOO]- 316.14017 176.9
[M+CH3COO]- 330.15582 196.1
[M+Na-2H]- 292.11664 165.9
[M]+ 271.14142 169.6
[M]- 271.14252 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.