CID 45747

1-chloro-3-phenoxy-2-propyl butylcarbamate

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCCCNC(=O)OC(COC1=CC=CC=C1)CCl
InChI
InChI=1S/C14H20ClNO3/c1-2-3-9-16-14(17)19-13(10-15)11-18-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)
InChIKey
PATSIPKNBMUWOF-UHFFFAOYSA-N
Compound name
(1-chloro-3-phenoxypropan-2-yl) N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12044 166.2
[M+Na]+ 308.10238 171.1
[M-H]- 284.10588 168.8
[M+NH4]+ 303.14698 182.3
[M+K]+ 324.07632 167.9
[M+H-H2O]+ 268.11042 159.7
[M+HCOO]- 330.11136 184.6
[M+CH3COO]- 344.12701 200.5
[M+Na-2H]- 306.08783 169.1
[M]+ 285.11261 171.5
[M]- 285.11371 171.5
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

No patent data available for this compound.