CID 46560

64046-04-4

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC(CCC1=CC=C(C=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C15H24N2O2/c1-12(17(3,4)5)6-7-13-8-10-14(11-9-13)19-15(18)16-2/h8-12H,6-7H2,1-5H3/p+1
InChIKey
RMJWBVFZCDAZKY-UHFFFAOYSA-O
Compound name
trimethyl-[4-[4-(methylcarbamoyloxy)phenyl]butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

0
Patents

265.1916 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.198876 162.6
[M+Na]+ 288.180818 167.2
[M-H]- 264.184324 167.5
[M+NH4]+ 283.225423 179.5
[M+K]+ 304.154758 160.8
[M+H-H2O]+ 248.188860 158.6
[M+HCOO]- 310.189801 185.4
[M+CH3COO]- 324.205451 199.7
[M+Na-2H]- 286.166266 168.8
[M]+ 265.19105142 163.9
[M]- 265.19214858 163.9
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.