CID 146081936

2387234-48-0

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)C#N
InChI
InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-6-11(5-12,7-13)4-8(14)15/h4,6-7H2,1-3H3,(H,14,15)
InChIKey
JEKBDBOLWVASAE-UHFFFAOYSA-N
Compound name
2-[3-cyano-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

240.11101 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 153.7
[M+Na]+ 263.10023 159.8
[M-H]- 239.10373 154.6
[M+NH4]+ 258.14483 163.6
[M+K]+ 279.07417 163.5
[M+H-H2O]+ 223.10827 138.1
[M+HCOO]- 285.10921 166.4
[M+CH3COO]- 299.12486 202.6
[M+Na-2H]- 261.08568 156.2
[M]+ 240.11046 158.0
[M]- 240.11156 158.0
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.