CID 46920

64049-74-7

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CC1=CC(=C(C=C1[N+](C)(C)C)OC(=O)NC)C
InChI
InChI=1S/C13H20N2O2/c1-9-7-10(2)12(17-13(16)14-3)8-11(9)15(4,5)6/h7-8H,1-6H3/p+1
InChIKey
FKMJJWNZIWUXEJ-UHFFFAOYSA-O
Compound name
[2,4-dimethyl-5-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16759 151.8
[M+Na]+ 260.14953 159.4
[M-H]- 236.15303 157.8
[M+NH4]+ 255.19413 170.6
[M+K]+ 276.12347 153.1
[M+H-H2O]+ 220.15757 148.7
[M+HCOO]- 282.15851 176.3
[M+CH3COO]- 296.17416 195.2
[M+Na-2H]- 258.13498 159.1
[M]+ 237.15976 153.9
[M]- 237.16086 153.9
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.