CID 107141415

2-{1-[(tert-butoxy)carbonyl]-3-(pyrrolidin-1-yl)azetidin-3-yl}acetic acid

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)N2CCCC2
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-9-14(10-15,8-11(17)18)16-6-4-5-7-16/h4-10H2,1-3H3,(H,17,18)
InChIKey
PXATZLJJVGBNAY-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyrrolidin-1-ylazetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 169.3
[M+Na]+ 307.16282 171.7
[M-H]- 283.16632 171.0
[M+NH4]+ 302.20742 178.5
[M+K]+ 323.13676 173.9
[M+H-H2O]+ 267.17086 158.3
[M+HCOO]- 329.17180 181.7
[M+CH3COO]- 343.18745 198.3
[M+Na-2H]- 305.14827 168.7
[M]+ 284.17305 176.6
[M]- 284.17415 176.6
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.