CID 4944

Propoxur

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(C)OC1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKey
ISRUGXGCCGIOQO-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

657
References

44213
Patents

209.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.2
[M+Na]+ 232.094418 152.5
[M-H]- 208.097924 149.9
[M+NH4]+ 227.139023 164.8
[M+K]+ 248.068358 152.1
[M+H-H2O]+ 192.102460 139.7
[M+HCOO]- 254.103401 170.0
[M+CH3COO]- 268.119051 189.0
[M+Na-2H]- 230.079866 150.4
[M]+ 209.10465142 148.6
[M]- 209.10574858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe