CID 17516

Promecarb

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
InChI
InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKey
DTAPQAJKAFRNJB-UHFFFAOYSA-N
Compound name
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

12
References

15886
Patents

207.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.1
[M+Na]+ 230.115148 154.1
[M-H]- 206.118654 151.1
[M+NH4]+ 225.159753 166.3
[M+K]+ 246.089088 153.0
[M+H-H2O]+ 190.123190 141.0
[M+HCOO]- 252.124131 170.4
[M+CH3COO]- 266.139781 191.1
[M+Na-2H]- 228.100596 150.1
[M]+ 207.12538142 148.9
[M]- 207.12647858 148.9
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