CID 88571388

3-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]propanoic acid

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)(C)OC(=O)NCCNCCC(=O)O
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7-6-11-5-4-8(13)14/h11H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
HZSDWHXQUZYZCM-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.1423 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 154.5
[M+Na]+ 255.13152 159.3
[M+NH4]+ 250.17612 158.4
[M+K]+ 271.10546 157.4
[M-H]- 231.13502 151.1
[M+Na-2H]- 253.11697 154.3
[M]+ 232.14175 153.5
[M]- 232.14285 153.5
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