CID 72040222

3-methyl-1-(2-propoxyphenyl)butan-1-amine

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCOC1=CC=CC=C1C(CC(C)C)N
InChI
InChI=1S/C14H23NO/c1-4-9-16-14-8-6-5-7-12(14)13(15)10-11(2)3/h5-8,11,13H,4,9-10,15H2,1-3H3
InChIKey
JXPFLVRPPYGTPC-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-propoxyphenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 155.7
[M+Na]+ 244.167178 160.5
[M-H]- 220.170684 158.2
[M+NH4]+ 239.211783 173.6
[M+K]+ 260.141118 158.4
[M+H-H2O]+ 204.175220 149.0
[M+HCOO]- 266.176161 177.2
[M+CH3COO]- 280.191811 195.5
[M+Na-2H]- 242.152626 157.1
[M]+ 221.17741142 156.2
[M]- 221.17850858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.