CID 47039

Tl-1512

Structural Information

Molecular Formula
C14H21N2O3
SMILES
CC1=C(C=C(C=C1)[N+](C)(C)CC(=O)C)OC(=O)NC
InChI
InChI=1S/C14H20N2O3/c1-10-6-7-12(16(4,5)9-11(2)17)8-13(10)19-14(18)15-3/h6-8H,9H2,1-5H3/p+1
InChIKey
ICDDJGZYAWFPMT-UHFFFAOYSA-O
Compound name
dimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]-(2-oxopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1552 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16248 158.8
[M+Na]+ 288.14442 165.0
[M-H]- 264.14792 164.3
[M+NH4]+ 283.18902 175.9
[M+K]+ 304.11836 158.8
[M+H-H2O]+ 248.15246 155.2
[M+HCOO]- 310.15340 182.3
[M+CH3COO]- 324.16905 198.8
[M+Na-2H]- 286.12987 165.2
[M]+ 265.15465 160.9
[M]- 265.15575 160.9
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.