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 154.8
[M+Na]+ 255.13152 158.7
[M-H]- 231.13502 153.2
[M+NH4]+ 250.17612 171.4
[M+K]+ 271.10546 158.7
[M+H-H2O]+ 215.13956 149.1
[M+HCOO]- 277.14050 175.6
[M+CH3COO]- 291.15615 192.9
[M+Na-2H]- 253.11697 158.1
[M]+ 232.14175 156.3
[M]- 232.14285 156.3
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