CID 15060027

142225-64-7

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC[C@@H](C(=O)OC(C)(C)C)NC(=O)CN
InChI
InChI=1S/C13H26N2O4/c1-12(2,3)18-8-9(15-10(16)7-14)11(17)19-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,16)/t9-/m0/s1
InChIKey
CMQKALTZMHLGDA-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 166.9
[M+Na]+ 297.178488 170.3
[M-H]- 273.181994 166.2
[M+NH4]+ 292.223093 182.4
[M+K]+ 313.152428 171.3
[M+H-H2O]+ 257.186530 161.5
[M+HCOO]- 319.187471 185.2
[M+CH3COO]- 333.203121 204.4
[M+Na-2H]- 295.163936 168.1
[M]+ 274.18872142 169.2
[M]- 274.18981858 169.2
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

No patent data available for this compound.