CID 71305735

1251002-28-4

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCC(O2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13(8-14)6-4-5-9(18-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
HAZMWIGLQWNJPR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.5]nonane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 159.7
[M+Na]+ 294.131188 162.6
[M-H]- 270.134694 162.4
[M+NH4]+ 289.175793 168.3
[M+K]+ 310.105128 166.8
[M+H-H2O]+ 254.139230 149.3
[M+HCOO]- 316.140171 171.0
[M+CH3COO]- 330.155821 195.8
[M+Na-2H]- 292.116636 162.9
[M]+ 271.14142142 167.1
[M]- 271.14251858 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.