CID 84078796

4-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}butanoic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9(8-13)5-4-6-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
KSKBTIBSNQGTKO-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 159.5
[M+Na]+ 266.13628 163.0
[M-H]- 242.13978 159.7
[M+NH4]+ 261.18088 168.5
[M+K]+ 282.11022 165.6
[M+H-H2O]+ 226.14432 148.2
[M+HCOO]- 288.14526 174.4
[M+CH3COO]- 302.16091 193.8
[M+Na-2H]- 264.12173 160.0
[M]+ 243.14651 169.8
[M]- 243.14761 169.8
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

patents stripe