CID 11481803

(s)-chloromethyl 2-((tert-butoxycarbonyl)amino)propanoate

Structural Information

Molecular Formula
C9H16ClNO4
SMILES
C[C@@H](C(=O)OCCl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H16ClNO4/c1-6(7(12)14-5-10)11-8(13)15-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
MVUAMEQSMWWVQY-LURJTMIESA-N
Compound name
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

237.07678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08406 150.7
[M+Na]+ 260.06600 157.2
[M-H]- 236.06950 151.2
[M+NH4]+ 255.11060 169.3
[M+K]+ 276.03994 156.6
[M+H-H2O]+ 220.07404 147.0
[M+HCOO]- 282.07498 167.2
[M+CH3COO]- 296.09063 191.2
[M+Na-2H]- 258.05145 153.4
[M]+ 237.07623 156.0
[M]- 237.07733 156.0
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