CID 18693831

1351502-33-4

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(C)(C)OC(=O)CCNCCO
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)4-5-10-6-7-11/h10-11H,4-7H2,1-3H3
InChIKey
SKMOIWJWSRYOLI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

189.13649 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 145.3
[M+Na]+ 212.12571 150.6
[M-H]- 188.12921 144.0
[M+NH4]+ 207.17031 164.3
[M+K]+ 228.09965 150.3
[M+H-H2O]+ 172.13375 140.5
[M+HCOO]- 234.13469 166.1
[M+CH3COO]- 248.15034 183.3
[M+Na-2H]- 210.11116 150.0
[M]+ 189.13594 147.4
[M]- 189.13704 147.4
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