CID 57659551

3-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)propanoic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)OCCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-8(7-12)16-5-4-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
XDDIYUUNSUWZJX-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.12633 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 156.8
[M+Na]+ 268.11555 160.4
[M-H]- 244.11905 157.0
[M+NH4]+ 263.16015 165.6
[M+K]+ 284.08949 163.9
[M+H-H2O]+ 228.12359 145.4
[M+HCOO]- 290.12453 172.2
[M+CH3COO]- 304.14018 192.9
[M+Na-2H]- 266.10100 158.0
[M]+ 245.12578 168.1
[M]- 245.12688 168.1
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

patents stripe