CID 56962179

2725791-29-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-4-5-18-13(8-14)6-9(7-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
SNQOPXQCPPPDIW-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-2-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 159.7
[M+Na]+ 294.13119 162.6
[M-H]- 270.13469 162.4
[M+NH4]+ 289.17579 168.3
[M+K]+ 310.10513 166.8
[M+H-H2O]+ 254.13923 149.3
[M+HCOO]- 316.14017 171.0
[M+CH3COO]- 330.15582 195.8
[M+Na-2H]- 292.11664 162.9
[M]+ 271.14142 167.1
[M]- 271.14252 167.1
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.