CID 107141476

1697298-57-9

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)N(C)C
InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-7-12(8-14,13(4)5)6-9(15)16/h6-8H2,1-5H3,(H,15,16)
InChIKey
NGJFSGJLZBCZDB-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)-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

258.15796 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 164.9
[M+Na]+ 281.147178 168.3
[M-H]- 257.150684 166.8
[M+NH4]+ 276.191783 175.5
[M+K]+ 297.121118 172.7
[M+H-H2O]+ 241.155220 154.4
[M+HCOO]- 303.156161 181.2
[M+CH3COO]- 317.171811 201.5
[M+Na-2H]- 279.132626 166.2
[M]+ 258.15741142 175.9
[M]- 258.15850858 175.9
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.