CID 170915223

2947423-22-3

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)NC
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-7(6-13)8(12-4)9(14)15/h7-8,12H,5-6H2,1-4H3,(H,14,15)
InChIKey
WWLNBZJJVIIMQW-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-[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

244.1423 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 161.8
[M+Na]+ 267.131518 164.2
[M-H]- 243.135024 162.0
[M+NH4]+ 262.176123 170.2
[M+K]+ 283.105458 167.8
[M+H-H2O]+ 227.139560 149.7
[M+HCOO]- 289.140501 176.9
[M+CH3COO]- 303.156151 196.7
[M+Na-2H]- 265.116966 161.6
[M]+ 244.14175142 170.1
[M]- 244.14284858 170.1
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.