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]+ 233.149576 154.8
[M+Na]+ 255.131518 158.7
[M-H]- 231.135024 153.2
[M+NH4]+ 250.176123 171.4
[M+K]+ 271.105458 158.7
[M+H-H2O]+ 215.139560 149.1
[M+HCOO]- 277.140501 175.6
[M+CH3COO]- 291.156151 192.9
[M+Na-2H]- 253.116966 158.1
[M]+ 232.14175142 156.3
[M]- 232.14284858 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