CID 22346961

330793-26-5

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)N(CCC(=O)O)CCO
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11(6-7-12)5-4-8(13)14/h12H,4-7H2,1-3H3,(H,13,14)
InChIKey
HKVQWBJTOOSNIP-UHFFFAOYSA-N
Compound name
3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

233.12633 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 153.3
[M+Na]+ 256.11555 157.9
[M-H]- 232.11905 152.0
[M+NH4]+ 251.16015 170.2
[M+K]+ 272.08949 159.0
[M+H-H2O]+ 216.12359 148.2
[M+HCOO]- 278.12453 172.5
[M+CH3COO]- 292.14018 190.8
[M+Na-2H]- 254.10100 155.4
[M]+ 233.12578 156.6
[M]- 233.12688 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