CID 10945089

Methyl ((2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
COC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CCl)O
InChI
InChI=1S/C12H16ClNO3/c1-17-12(16)14-10(11(15)8-13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3,(H,14,16)/t10-,11+/m0/s1
InChIKey
ZAZXPIZQYVPWAW-WDEREUQCSA-N
Compound name
methyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

257.08188 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.089156 157.1
[M+Na]+ 280.071098 162.3
[M-H]- 256.074604 158.9
[M+NH4]+ 275.115703 173.6
[M+K]+ 296.045038 159.2
[M+H-H2O]+ 240.079140 151.6
[M+HCOO]- 302.080081 173.7
[M+CH3COO]- 316.095731 192.9
[M+Na-2H]- 278.056546 159.4
[M]+ 257.08133142 159.2
[M]- 257.08242858 159.2
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