CID 45678

Tl-1406

Structural Information

Molecular Formula
C15H23N2O2
SMILES
CNC(=O)OC1=C2CCCCC2=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C15H22N2O2/c1-16-15(18)19-14-10-9-13(17(2,3)4)11-7-5-6-8-12(11)14/h9-10H,5-8H2,1-4H3/p+1
InChIKey
ZECLHOQSVHRAES-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylcarbamoyloxy)-5,6,7,8-tetrahydronaphthalen-1-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18324 158.9
[M+Na]+ 286.16518 163.8
[M-H]- 262.16868 164.3
[M+NH4]+ 281.20978 176.8
[M+K]+ 302.13912 156.7
[M+H-H2O]+ 246.17322 155.1
[M+HCOO]- 308.17416 179.5
[M+CH3COO]- 322.18981 198.2
[M+Na-2H]- 284.15063 167.1
[M]+ 263.17541 157.2
[M]- 263.17651 157.2
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.