CID 3063344

Propylamine, n-isopropyl-3-(o-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)NCCCC1=CC=CC=C1OC
InChI
InChI=1S/C13H21NO/c1-11(2)14-10-6-8-12-7-4-5-9-13(12)15-3/h4-5,7,9,11,14H,6,8,10H2,1-3H3
InChIKey
NOUWHBNNBLKBOA-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.0
[M+Na]+ 230.15153 155.4
[M-H]- 206.15503 153.2
[M+NH4]+ 225.19613 168.8
[M+K]+ 246.12547 153.5
[M+H-H2O]+ 190.15957 143.4
[M+HCOO]- 252.16051 173.5
[M+CH3COO]- 266.17616 192.3
[M+Na-2H]- 228.13698 154.3
[M]+ 207.16176 151.8
[M]- 207.16286 151.8
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

patents stripe