CID 122360741

1980007-50-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(4-5-13)7-9(14)6-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKey
WMGGZPIMJCRAPS-SECBINFHSA-N
Compound name
2-[(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 161.8
[M+Na]+ 278.136278 169.6
[M-H]- 254.139784 165.4
[M+NH4]+ 273.180883 176.2
[M+K]+ 294.110218 167.3
[M+H-H2O]+ 238.144320 157.5
[M+HCOO]- 300.145261 177.5
[M+CH3COO]- 314.160911 193.1
[M+Na-2H]- 276.121726 163.5
[M]+ 255.14651142 164.9
[M]- 255.14760858 164.9
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.