CID 71187344

1417743-24-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(4-5-13)8-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
PJVQCWIKEOHTOE-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

255.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 162.5
[M+Na]+ 278.136278 169.5
[M-H]- 254.139784 165.9
[M+NH4]+ 273.180883 175.2
[M+K]+ 294.110218 167.9
[M+H-H2O]+ 238.144320 157.5
[M+HCOO]- 300.145261 176.4
[M+CH3COO]- 314.160911 193.5
[M+Na-2H]- 276.121726 165.3
[M]+ 255.14651142 163.7
[M]- 255.14760858 163.7
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

patents stripe