CID 6993436

(2s)-2-amino-5-{[(tert-butoxy)carbonyl]amino}pentanoic acid

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-7(11)8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey
GLZZMUULAVZVTA-ZETCQYMHSA-N
Compound name
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

79
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 155.3
[M+Na]+ 255.13152 159.0
[M-H]- 231.13502 153.3
[M+NH4]+ 250.17612 171.5
[M+K]+ 271.10546 159.2
[M+H-H2O]+ 215.13956 149.7
[M+HCOO]- 277.14050 174.5
[M+CH3COO]- 291.15615 193.3
[M+Na-2H]- 253.11697 156.2
[M]+ 232.14175 155.1
[M]- 232.14285 155.1
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