CID 3022632

93842-84-3

Structural Information

Molecular Formula
C18H28NO2
SMILES
CC[N+](CC)(CC1=CC=CC=C1)CC(C)OC(=O)C(=C)C
InChI
InChI=1S/C18H28NO2/c1-6-19(7-2,14-17-11-9-8-10-12-17)13-16(5)21-18(20)15(3)4/h8-12,16H,3,6-7,13-14H2,1-2,4-5H3/q+1
InChIKey
RPUZDPNHIPTHFP-UHFFFAOYSA-N
Compound name
benzyl-diethyl-[2-(2-methylprop-2-enoyloxy)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.219276 172.0
[M+Na]+ 313.201218 175.3
[M-H]- 289.204724 176.1
[M+NH4]+ 308.245823 187.7
[M+K]+ 329.175158 168.0
[M+H-H2O]+ 273.209260 167.8
[M+HCOO]- 335.210201 192.0
[M+CH3COO]- 349.225851 203.2
[M+Na-2H]- 311.186666 175.7
[M]+ 290.21145142 173.6
[M]- 290.21254858 173.6
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.