CID 7010364

1-tert-butyl 5-methyl (2s)-2-aminopentanedioate hydrochloride

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)OC)N
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7(11)5-6-8(12)14-4/h7H,5-6,11H2,1-4H3/t7-/m0/s1
InChIKey
QSAXGMMUKHMOBI-ZETCQYMHSA-N
Compound name
1-O-tert-butyl 5-O-methyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

217.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 150.7
[M+Na]+ 240.120628 155.9
[M-H]- 216.124134 150.4
[M+NH4]+ 235.165233 168.9
[M+K]+ 256.094568 156.9
[M+H-H2O]+ 200.128670 145.7
[M+HCOO]- 262.129611 170.6
[M+CH3COO]- 276.145261 190.5
[M+Na-2H]- 238.106076 152.1
[M]+ 217.13086142 153.5
[M]- 217.13195858 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

literature stripe

Patent stripe

patents stripe