CID 23526

Tl-1071

Structural Information

Molecular Formula
C12H19N2O2
SMILES
CC1=C(C=C(C=C1)[N+](C)(C)C)OC(=O)NC
InChI
InChI=1S/C12H18N2O2/c1-9-6-7-10(14(3,4)5)8-11(9)16-12(15)13-2/h6-8H,1-5H3/p+1
InChIKey
WAAZDNJMKNYTAI-UHFFFAOYSA-O
Compound name
trimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.14465 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 147.9
[M+Na]+ 246.13387 155.0
[M-H]- 222.13737 153.6
[M+NH4]+ 241.17847 166.9
[M+K]+ 262.10781 148.8
[M+H-H2O]+ 206.14191 144.6
[M+HCOO]- 268.14285 172.7
[M+CH3COO]- 282.15850 191.0
[M+Na-2H]- 244.11932 156.3
[M]+ 223.14410 149.1
[M]- 223.14520 149.1
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.