CID 46600

Ar-30

Structural Information

Molecular Formula
C14H23N2O3
SMILES
CC(C1=CC(=C(C=C1)OC)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C14H22N2O3/c1-10(16(3,4)5)11-7-8-12(18-6)13(9-11)19-14(17)15-2/h7-10H,1-6H3/p+1
InChIKey
AMQFVUVJPFXTMT-UHFFFAOYSA-O
Compound name
1-[4-methoxy-3-(methylcarbamoyloxy)phenyl]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

267.17087 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17815 160.3
[M+Na]+ 290.16009 166.1
[M-H]- 266.16359 165.7
[M+NH4]+ 285.20469 177.3
[M+K]+ 306.13403 160.6
[M+H-H2O]+ 250.16813 156.5
[M+HCOO]- 312.16907 183.6
[M+CH3COO]- 326.18472 199.9
[M+Na-2H]- 288.14554 166.6
[M]+ 267.17032 163.0
[M]- 267.17142 163.0
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.