CID 13850981

2-{[(tert-butoxy)carbonyl]amino}-3-(dimethylamino)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

232.1423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 154.2
[M+Na]+ 255.13152 158.2
[M-H]- 231.13502 154.3
[M+NH4]+ 250.17612 171.4
[M+K]+ 271.10546 160.2
[M+H-H2O]+ 215.13956 148.7
[M+HCOO]- 277.14050 174.6
[M+CH3COO]- 291.15615 197.2
[M+Na-2H]- 253.11697 155.6
[M]+ 232.14175 156.4
[M]- 232.14285 156.4
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