CID 34074

27946-71-0

Structural Information

Molecular Formula
C13H22NO
SMILES
C[N+](C)(C)CCCC1=CC=CC=C1OC
InChI
InChI=1S/C13H22NO/c1-14(2,3)11-7-9-12-8-5-6-10-13(12)15-4/h5-6,8,10H,7,9,11H2,1-4H3/q+1
InChIKey
MOJQXXNMWRXJBC-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.17014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.177416 147.6
[M+Na]+ 231.159358 154.1
[M-H]- 207.162864 152.7
[M+NH4]+ 226.203963 167.3
[M+K]+ 247.133298 147.4
[M+H-H2O]+ 191.167400 144.3
[M+HCOO]- 253.168341 171.6
[M+CH3COO]- 267.183991 187.9
[M+Na-2H]- 229.144806 156.8
[M]+ 208.16959142 149.8
[M]- 208.17068858 149.8
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.