CID 25550

2,3,5-trimethacarb

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC(=C(C(=C1)OC(=O)NC)C)C
InChI
InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)
InChIKey
NYOKZHDTNBDPOB-UHFFFAOYSA-N
Compound name
(2,3,5-trimethylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4
References

2008
Patents

193.11028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.6
[M+Na]+ 216.09950 150.2
[M-H]- 192.10300 146.1
[M+NH4]+ 211.14410 161.7
[M+K]+ 232.07344 148.8
[M+H-H2O]+ 176.10754 135.9
[M+HCOO]- 238.10848 166.2
[M+CH3COO]- 252.12413 188.4
[M+Na-2H]- 214.08495 145.7
[M]+ 193.10973 144.0
[M]- 193.11083 144.0
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