CID 45996

63981-72-6

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CCC1=C(C=C(C=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C13H20N2O2/c1-6-10-7-8-11(17-13(16)14-2)9-12(10)15(3,4)5/h7-9H,6H2,1-5H3/p+1
InChIKey
DWZLGDQUSSPJKK-UHFFFAOYSA-O
Compound name
[2-ethyl-5-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16759 152.7
[M+Na]+ 260.14953 159.3
[M-H]- 236.15303 158.2
[M+NH4]+ 255.19413 171.1
[M+K]+ 276.12347 153.0
[M+H-H2O]+ 220.15757 149.2
[M+HCOO]- 282.15851 177.1
[M+CH3COO]- 296.17416 194.0
[M+Na-2H]- 258.13498 160.5
[M]+ 237.15976 154.3
[M]- 237.16086 154.3
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.