CID 16788948

1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)CCOC1=C(C=C(C=C1)C(C)N)OC
InChI
InChI=1S/C14H23NO2/c1-10(2)7-8-17-13-6-5-12(11(3)15)9-14(13)16-4/h5-6,9-11H,7-8,15H2,1-4H3
InChIKey
MKVHHVCGUWHDRD-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 158.3
[M+Na]+ 260.16210 164.0
[M-H]- 236.16560 161.2
[M+NH4]+ 255.20670 175.8
[M+K]+ 276.13604 162.5
[M+H-H2O]+ 220.17014 151.6
[M+HCOO]- 282.17108 180.0
[M+CH3COO]- 296.18673 198.7
[M+Na-2H]- 258.14755 159.0
[M]+ 237.17233 160.6
[M]- 237.17343 160.6
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