CID 71034226

1158759-45-5

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)C(=O)O
InChI
InChI=1S/C10H14N2O4/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14/h5-6H2,1-3H3,(H,13,14)
InChIKey
XZXUUIMQZYMXJT-UHFFFAOYSA-N
Compound name
3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

226.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 149.8
[M+Na]+ 249.084568 156.2
[M-H]- 225.088074 150.8
[M+NH4]+ 244.129173 160.1
[M+K]+ 265.058508 160.1
[M+H-H2O]+ 209.092610 134.3
[M+HCOO]- 271.093551 162.7
[M+CH3COO]- 285.109201 200.0
[M+Na-2H]- 247.070016 152.7
[M]+ 226.09480142 153.7
[M]- 226.09589858 153.7
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