CID 11746086

1987681-60-6

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CN)C(=O)OC
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
HNGRJOCEIWGCTB-LURJTMIESA-N
Compound name
methyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

218.12666 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.4
[M+Na]+ 241.11588 155.1
[M-H]- 217.11938 150.1
[M+NH4]+ 236.16048 168.1
[M+K]+ 257.08982 156.4
[M+H-H2O]+ 201.12392 144.9
[M+HCOO]- 263.12486 171.5
[M+CH3COO]- 277.14051 192.0
[M+Na-2H]- 239.10133 152.5
[M]+ 218.12611 151.7
[M]- 218.12721 151.7
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