CID 377723

N-boc-d-serine methyl ester

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)OC
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1
InChIKey
SANNKFASHWONFD-ZCFIWIBFSA-N
Compound name
methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1285
Patents

219.11067 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.117946 148.9
[M+Na]+ 242.099888 154.0
[M-H]- 218.103394 147.8
[M+NH4]+ 237.144493 166.4
[M+K]+ 258.073828 155.3
[M+H-H2O]+ 202.107930 144.0
[M+HCOO]- 264.108871 168.4
[M+CH3COO]- 278.124521 187.1
[M+Na-2H]- 240.085336 151.4
[M]+ 219.11012142 151.7
[M]- 219.11121858 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe