CID 84078812

1783330-07-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(CC1CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-8(10(14)15)5-9-6-13(7-9)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
YJQPWUVEGFQZJS-UHFFFAOYSA-N
Compound name
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 160.2
[M+Na]+ 266.13628 163.5
[M-H]- 242.13978 160.5
[M+NH4]+ 261.18088 169.2
[M+K]+ 282.11022 166.6
[M+H-H2O]+ 226.14432 149.0
[M+HCOO]- 288.14526 174.2
[M+CH3COO]- 302.16091 194.7
[M+Na-2H]- 264.12173 159.5
[M]+ 243.14651 169.9
[M]- 243.14761 169.9
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

No patent data available for this compound.