CID 15666718

143766-89-6

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)N(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12(6-4-8(13)14)7-5-9(15)16/h4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKey
NIFJJASPEGEHDS-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

261.12125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.128526 158.1
[M+Na]+ 284.110468 162.2
[M-H]- 260.113974 156.6
[M+NH4]+ 279.155073 173.6
[M+K]+ 300.084408 163.6
[M+H-H2O]+ 244.118510 152.8
[M+HCOO]- 306.119451 176.4
[M+CH3COO]- 320.135101 196.0
[M+Na-2H]- 282.095916 158.7
[M]+ 261.12070142 161.9
[M]- 261.12179858 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe