CID 88980672

2375249-55-9

Structural Information

Molecular Formula
C9H19NO3
SMILES
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)OC
InChI
InChI=1S/C9H19NO3/c1-6(12-5)7(10)8(11)13-9(2,3)4/h6-7H,10H2,1-5H3/t6-,7+/m1/s1
InChIKey
QYNBQSPSAXYWJD-RQJHMYQMSA-N
Compound name
tert-butyl (2S,3R)-2-amino-3-methoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.13649 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.8
[M+Na]+ 212.12571 150.1
[M-H]- 188.12921 144.6
[M+NH4]+ 207.17031 164.1
[M+K]+ 228.09965 151.5
[M+H-H2O]+ 172.13375 140.1
[M+HCOO]- 234.13469 164.5
[M+CH3COO]- 248.15034 187.0
[M+Na-2H]- 210.11116 146.5
[M]+ 189.13594 146.5
[M]- 189.13704 146.5
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