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]+ 190.143766 144.8
[M+Na]+ 212.125708 150.1
[M-H]- 188.129214 144.6
[M+NH4]+ 207.170313 164.1
[M+K]+ 228.099648 151.5
[M+H-H2O]+ 172.133750 140.1
[M+HCOO]- 234.134691 164.5
[M+CH3COO]- 248.150341 187.0
[M+Na-2H]- 210.111156 146.5
[M]+ 189.13594142 146.5
[M]- 189.13703858 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