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

39
Patents

226.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 152.2
[M+Na]+ 249.08457 155.7
[M+NH4]+ 244.12917 151.4
[M+K]+ 265.05851 150.9
[M-H]- 225.08807 140.2
[M+Na-2H]- 247.07002 150.4
[M]+ 226.09480 147.2
[M]- 226.09590 147.2
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

patents stripe