CID 122164177

1989659-47-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
CTRHAKDBMSOFHK-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 156.3
[M+Na]+ 278.136278 157.9
[M-H]- 254.139784 159.2
[M+NH4]+ 273.180883 158.1
[M+K]+ 294.110218 163.4
[M+H-H2O]+ 238.144320 140.5
[M+HCOO]- 300.145261 168.3
[M+CH3COO]- 314.160911 204.2
[M+Na-2H]- 276.121726 155.5
[M]+ 255.14651142 171.9
[M]- 255.14760858 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe