CID 59536801

1245622-65-4

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1Cl
InChI
InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)
InChIKey
LLDJTXCEBSCKSH-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-chlorophenyl)-2-hydroxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

271.09753 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 161.1
[M+Na]+ 294.08675 167.5
[M-H]- 270.09025 163.4
[M+NH4]+ 289.13135 177.7
[M+K]+ 310.06069 164.2
[M+H-H2O]+ 254.09479 156.2
[M+HCOO]- 316.09573 176.8
[M+CH3COO]- 330.11138 195.9
[M+Na-2H]- 292.07220 164.3
[M]+ 271.09698 164.0
[M]- 271.09808 164.0
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