CID 178200142

5-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}pentanoic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-10(9-14)6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
NJYMZNJCEXATKD-UHFFFAOYSA-N
Compound name
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 164.1
[M+Na]+ 280.151938 167.2
[M-H]- 256.155444 164.1
[M+NH4]+ 275.196543 172.6
[M+K]+ 296.125878 169.6
[M+H-H2O]+ 240.159980 152.7
[M+HCOO]- 302.160921 178.8
[M+CH3COO]- 316.176571 196.7
[M+Na-2H]- 278.137386 164.2
[M]+ 257.16217142 174.8
[M]- 257.16326858 174.8
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.