CID 83692

Glycine, n-[(1,1-dimethylethoxy)carbonyl]-n-methyl-

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)O
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKey
YRXIMPFOTQVOHG-UHFFFAOYSA-N
Compound name
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3410
Patents

189.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 140.7
[M+Na]+ 212.089328 146.7
[M-H]- 188.092834 141.3
[M+NH4]+ 207.133933 160.2
[M+K]+ 228.063268 148.6
[M+H-H2O]+ 172.097370 136.1
[M+HCOO]- 234.098311 161.8
[M+CH3COO]- 248.113961 185.1
[M+Na-2H]- 210.074776 144.2
[M]+ 189.09956142 143.7
[M]- 189.10065858 143.7
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