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]+ 266.19888 162.6
[M+Na]+ 288.18082 167.2
[M-H]- 264.18432 167.5
[M+NH4]+ 283.22542 179.5
[M+K]+ 304.15476 160.8
[M+H-H2O]+ 248.18886 158.6
[M+HCOO]- 310.18980 185.4
[M+CH3COO]- 324.20545 199.7
[M+Na-2H]- 286.16627 168.8
[M]+ 265.19105 163.9
[M]- 265.19215 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.