CID 7018226

363191-25-7

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)NC[C@H](C(=O)OC)N
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m1/s1
InChIKey
AXLHVTKGDPVANO-ZCFIWIBFSA-N
Compound name
methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
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

No literature data available for this compound.

Patent stripe

patents stripe