CID 57524523

Jbpos0101

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
C[C@@H]([C@H](C1=CC=CC=C1Cl)O)OC(=O)N
InChI
InChI=1S/C10H12ClNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1
InChIKey
TZOWVYPYWJLZTK-IMTBSYHQSA-N
Compound name
[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

229.05057 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 147.6
[M+Na]+ 252.039788 154.5
[M-H]- 228.043294 149.5
[M+NH4]+ 247.084393 165.2
[M+K]+ 268.013728 151.6
[M+H-H2O]+ 212.047830 142.8
[M+HCOO]- 274.048771 164.2
[M+CH3COO]- 288.064421 188.2
[M+Na-2H]- 250.025236 149.2
[M]+ 229.05002142 148.4
[M]- 229.05111858 148.4
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