CID 118036542

1708975-93-2

Structural Information

Molecular Formula
C10H19NO5
SMILES
C[C@@H](COCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5/c1-7(5-15-6-8(12)13)11-9(14)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
UBEPRMVMTFACCQ-ZETCQYMHSA-N
Compound name
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

233.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.133606 153.3
[M+Na]+ 256.115548 157.9
[M-H]- 232.119054 152.0
[M+NH4]+ 251.160153 170.2
[M+K]+ 272.089488 159.0
[M+H-H2O]+ 216.123590 148.2
[M+HCOO]- 278.124531 172.5
[M+CH3COO]- 292.140181 190.8
[M+Na-2H]- 254.100996 155.4
[M]+ 233.12578142 156.6
[M]- 233.12687858 156.6
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