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]+ 275.19655 166.9
[M+Na]+ 297.17849 170.3
[M-H]- 273.18199 166.2
[M+NH4]+ 292.22309 182.4
[M+K]+ 313.15243 171.3
[M+H-H2O]+ 257.18653 161.5
[M+HCOO]- 319.18747 185.2
[M+CH3COO]- 333.20312 204.4
[M+Na-2H]- 295.16394 168.1
[M]+ 274.18872 169.2
[M]- 274.18982 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.