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 149.8
[M+Na]+ 249.08457 156.2
[M-H]- 225.08807 150.8
[M+NH4]+ 244.12917 160.1
[M+K]+ 265.05851 160.1
[M+H-H2O]+ 209.09261 134.3
[M+HCOO]- 271.09355 162.7
[M+CH3COO]- 285.10920 200.0
[M+Na-2H]- 247.07002 152.7
[M]+ 226.09480 153.7
[M]- 226.09590 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