CID 18698256

Tert-butyl 2-amino-3-methoxypropanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)(C)OC(=O)C(COC)N
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(10)6(9)5-11-4/h6H,5,9H2,1-4H3
InChIKey
JJFUNEGRIGWPFT-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

175.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 140.4
[M+Na]+ 198.110068 146.4
[M-H]- 174.113574 140.3
[M+NH4]+ 193.154673 160.4
[M+K]+ 214.084008 147.4
[M+H-H2O]+ 158.118110 135.7
[M+HCOO]- 220.119051 161.4
[M+CH3COO]- 234.134701 183.1
[M+Na-2H]- 196.095516 143.9
[M]+ 175.12030142 142.4
[M]- 175.12139858 142.4
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