CID 107141476

2-{1-[(tert-butoxy)carbonyl]-3-(dimethylamino)azetidin-3-yl}acetic acid

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]+ 259.16524 164.9
[M+Na]+ 281.14718 168.3
[M-H]- 257.15068 166.8
[M+NH4]+ 276.19178 175.5
[M+K]+ 297.12112 172.7
[M+H-H2O]+ 241.15522 154.4
[M+HCOO]- 303.15616 181.2
[M+CH3COO]- 317.17181 201.5
[M+Na-2H]- 279.13263 166.2
[M]+ 258.15741 175.9
[M]- 258.15851 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.