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]+ 222.18524 155.7
[M+Na]+ 244.16718 160.5
[M-H]- 220.17068 158.2
[M+NH4]+ 239.21178 173.6
[M+K]+ 260.14112 158.4
[M+H-H2O]+ 204.17522 149.0
[M+HCOO]- 266.17616 177.2
[M+CH3COO]- 280.19181 195.5
[M+Na-2H]- 242.15263 157.1
[M]+ 221.17741 156.2
[M]- 221.17851 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.