CID 135393378

2227205-35-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC12CC(C2)CC(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-5-4-13(14)7-9(8-13)6-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
FZWTZIVSEFHNMJ-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.3]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 158.2
[M+Na]+ 278.136278 160.4
[M-H]- 254.139784 160.5
[M+NH4]+ 273.180883 162.1
[M+K]+ 294.110218 165.5
[M+H-H2O]+ 238.144320 144.2
[M+HCOO]- 300.145261 170.2
[M+CH3COO]- 314.160911 203.0
[M+Na-2H]- 276.121726 159.5
[M]+ 255.14651142 174.5
[M]- 255.14760858 174.5
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.