CID 24729691

886493-66-9

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CC(C)(C)OC(=O)NC(CCO)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKey
RDWWIQVAGHYANA-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-chlorophenyl)-3-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

285.11316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12044 165.8
[M+Na]+ 308.10238 171.8
[M-H]- 284.10588 167.9
[M+NH4]+ 303.14698 181.8
[M+K]+ 324.07632 168.2
[M+H-H2O]+ 268.11042 160.7
[M+HCOO]- 330.11136 181.1
[M+CH3COO]- 344.12701 198.9
[M+Na-2H]- 306.08783 168.4
[M]+ 285.11261 169.0
[M]- 285.11371 169.0
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