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]+ 256.15434 158.2
[M+Na]+ 278.13628 160.4
[M-H]- 254.13978 160.5
[M+NH4]+ 273.18088 162.1
[M+K]+ 294.11022 165.5
[M+H-H2O]+ 238.14432 144.2
[M+HCOO]- 300.14526 170.2
[M+CH3COO]- 314.16091 203.0
[M+Na-2H]- 276.12173 159.5
[M]+ 255.14651 174.5
[M]- 255.14761 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.