CID 54593434

2-{[(tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)N(CCOC)CC(=O)O
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11(5-6-15-4)7-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKey
DZQSFFPNXSRALH-UHFFFAOYSA-N
Compound name
2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 152.6
[M+Na]+ 256.11555 157.7
[M-H]- 232.11905 152.7
[M+NH4]+ 251.16015 170.3
[M+K]+ 272.08949 159.6
[M+H-H2O]+ 216.12359 147.3
[M+HCOO]- 278.12453 173.3
[M+CH3COO]- 292.14018 193.2
[M+Na-2H]- 254.10100 155.3
[M]+ 233.12578 157.9
[M]- 233.12688 157.9
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