CID 15666718

N-boc-iminodipropionic acid

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

175
Patents

261.12125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 158.4
[M+Na]+ 284.11047 162.8
[M+NH4]+ 279.15507 161.1
[M+K]+ 300.08441 163.0
[M-H]- 260.11397 153.1
[M+Na-2H]- 282.09592 156.8
[M]+ 261.12070 156.7
[M]- 261.12180 156.7
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

patents stripe