CID 117691418

Methyl 3-amino-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)(C)OC(=O)NCC(CN)C(=O)OC
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)12-6-7(5-11)8(13)15-4/h7H,5-6,11H2,1-4H3,(H,12,14)
InChIKey
VHRXVHBSPBWTGA-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 155.1
[M+Na]+ 255.13152 159.3
[M-H]- 231.13502 154.6
[M+NH4]+ 250.17612 172.2
[M+K]+ 271.10546 160.4
[M+H-H2O]+ 215.13956 149.4
[M+HCOO]- 277.14050 175.8
[M+CH3COO]- 291.15615 195.0
[M+Na-2H]- 253.11697 156.6
[M]+ 232.14175 156.7
[M]- 232.14285 156.7
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