CID 7006667

(s)-tert-butyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate hydrochloride

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CC(C)(C)OC(=O)[C@H](CCCN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKey
XXIQPSQYSBWVII-JTQLQIEISA-N
Compound name
tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

288.2049 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 171.7
[M+Na]+ 311.19412 174.8
[M-H]- 287.19762 170.9
[M+NH4]+ 306.23872 186.8
[M+K]+ 327.16806 175.6
[M+H-H2O]+ 271.20216 166.2
[M+HCOO]- 333.20310 189.7
[M+CH3COO]- 347.21875 206.8
[M+Na-2H]- 309.17957 172.5
[M]+ 288.20435 174.4
[M]- 288.20545 174.4
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