CID 107141313

1697579-67-1

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)N2C=CN=C2
InChI
InChI=1S/C13H19N3O4/c1-12(2,3)20-11(19)15-7-13(8-15,6-10(17)18)16-5-4-14-9-16/h4-5,9H,6-8H2,1-3H3,(H,17,18)
InChIKey
APMRRTHGGGDJIA-UHFFFAOYSA-N
Compound name
2-[3-imidazol-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 167.0
[M+Na]+ 304.12676 171.7
[M-H]- 280.13026 168.4
[M+NH4]+ 299.17136 175.2
[M+K]+ 320.10070 173.8
[M+H-H2O]+ 264.13480 155.1
[M+HCOO]- 326.13574 181.3
[M+CH3COO]- 340.15139 197.3
[M+Na-2H]- 302.11221 168.6
[M]+ 281.13699 177.2
[M]- 281.13809 177.2
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.