CID 72208215

1363382-07-3

Structural Information

Molecular Formula
C14H24N2O6
SMILES
CC(C)(C)OC(=O)NC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H24N2O6/c1-12(2,3)21-10(19)15-14(9(17)18)7-16(8-14)11(20)22-13(4,5)6/h7-8H2,1-6H3,(H,15,19)(H,17,18)
InChIKey
HKALKUARCQYSJO-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

316.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 178.0
[M+Na]+ 339.152638 180.3
[M-H]- 315.156144 178.3
[M+NH4]+ 334.197243 185.5
[M+K]+ 355.126578 184.9
[M+H-H2O]+ 299.160680 167.9
[M+HCOO]- 361.161621 191.1
[M+CH3COO]- 375.177271 206.8
[M+Na-2H]- 337.138086 179.5
[M]+ 316.16287142 189.2
[M]- 316.16396858 189.2
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