CID 130606001

1936671-99-6

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)NC
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-5-10(6-12,11-4)7(13)14/h11H,5-6H2,1-4H3,(H,13,14)
InChIKey
CATAUGUHAMPFFZ-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12666 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 156.6
[M+Na]+ 253.115878 160.6
[M-H]- 229.119384 157.3
[M+NH4]+ 248.160483 167.7
[M+K]+ 269.089818 164.1
[M+H-H2O]+ 213.123920 146.4
[M+HCOO]- 275.124861 173.0
[M+CH3COO]- 289.140511 192.4
[M+Na-2H]- 251.101326 159.5
[M]+ 230.12611142 165.6
[M]- 230.12720858 165.6
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.