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

4
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 159.5
[M+Na]+ 266.136278 163.0
[M-H]- 242.139784 159.7
[M+NH4]+ 261.180883 168.5
[M+K]+ 282.110218 165.6
[M+H-H2O]+ 226.144320 148.2
[M+HCOO]- 288.145261 174.4
[M+CH3COO]- 302.160911 193.8
[M+Na-2H]- 264.121726 160.0
[M]+ 243.14651142 169.8
[M]- 243.14760858 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