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

24
Patents

285.11316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.120436 165.8
[M+Na]+ 308.102378 171.8
[M-H]- 284.105884 167.9
[M+NH4]+ 303.146983 181.8
[M+K]+ 324.076318 168.2
[M+H-H2O]+ 268.110420 160.7
[M+HCOO]- 330.111361 181.1
[M+CH3COO]- 344.127011 198.9
[M+Na-2H]- 306.087826 168.4
[M]+ 285.11261142 169.0
[M]- 285.11370858 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