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

3
Patents

316.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17070 178.0
[M+Na]+ 339.15264 180.3
[M-H]- 315.15614 178.3
[M+NH4]+ 334.19724 185.5
[M+K]+ 355.12658 184.9
[M+H-H2O]+ 299.16068 167.9
[M+HCOO]- 361.16162 191.1
[M+CH3COO]- 375.17727 206.8
[M+Na-2H]- 337.13809 179.5
[M]+ 316.16287 189.2
[M]- 316.16397 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