CID 118997478

1822561-92-1

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CC2
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-11(4-5-11)7(12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
VEXHVXDUXUEPFT-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 155.6
[M+Na]+ 250.10497 162.7
[M-H]- 226.10847 159.5
[M+NH4]+ 245.14957 163.3
[M+K]+ 266.07891 164.1
[M+H-H2O]+ 210.11301 146.3
[M+HCOO]- 272.11395 170.8
[M+CH3COO]- 286.12960 192.3
[M+Na-2H]- 248.09042 158.8
[M]+ 227.11520 167.6
[M]- 227.11630 167.6
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.