CID 132372747

2172102-42-8

Structural Information

Molecular Formula
C10H15F2NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C10H15F2NO5/c1-8(2,3)18-7(16)13-4-9(17,5-13)10(11,12)6(14)15/h17H,4-5H2,1-3H3,(H,14,15)
InChIKey
MTWJUQPGZFPQIG-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09183 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09911 160.4
[M+Na]+ 290.08105 165.3
[M-H]- 266.08455 157.4
[M+NH4]+ 285.12565 169.6
[M+K]+ 306.05499 168.1
[M+H-H2O]+ 250.08909 150.0
[M+HCOO]- 312.09003 171.1
[M+CH3COO]- 326.10568 192.9
[M+Na-2H]- 288.06650 162.8
[M]+ 267.09128 167.0
[M]- 267.09238 167.0
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.