CID 204512

Butylamine, 3-(m-methoxyphenyl)-n,n,3-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(C)(CCN(C)C)C1=CC(=CC=C1)OC
InChI
InChI=1S/C14H23NO/c1-14(2,9-10-15(3)4)12-7-6-8-13(11-12)16-5/h6-8,11H,9-10H2,1-5H3
InChIKey
MOEPQBGYJVWBJE-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-N,N,3-trimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.185236 153.6
[M+Na]+ 244.167178 159.6
[M-H]- 220.170684 158.4
[M+NH4]+ 239.211783 172.8
[M+K]+ 260.141118 158.8
[M+H-H2O]+ 204.175220 147.2
[M+HCOO]- 266.176161 176.7
[M+CH3COO]- 280.191811 198.3
[M+Na-2H]- 242.152626 158.7
[M]+ 221.17741142 157.3
[M]- 221.17850858 157.3
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.