CID 21117482

80687-31-6

Structural Information

Molecular Formula
C6H10ClN3O5
SMILES
C(CCl)N(C(=O)N[C@@H](CO)C(=O)O)N=O
InChI
InChI=1S/C6H10ClN3O5/c7-1-2-10(9-15)6(14)8-4(3-11)5(12)13/h4,11H,1-3H2,(H,8,14)(H,12,13)/t4-/m0/s1
InChIKey
UBIRLPHQVAUMTB-BYPYZUCNSA-N
Compound name
(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0309 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03818 147.6
[M+Na]+ 262.02012 152.4
[M+NH4]+ 257.06472 151.3
[M+K]+ 277.99406 151.6
[M-H]- 238.02362 144.5
[M+Na-2H]- 260.00557 147.7
[M]+ 239.03035 146.7
[M]- 239.03145 146.7
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

No patent data available for this compound.