CID 3045692

Benzeneethanamine, 4-(4-((aminomethyl)phenyl)butyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H26N2
SMILES
C1=CC=C(C(=C1)CCCCC2=CC=C(C=C2)CCN)CN
InChI
InChI=1S/C19H26N2/c20-14-13-17-11-9-16(10-12-17)5-1-2-6-18-7-3-4-8-19(18)15-21/h3-4,7-12H,1-2,5-6,13-15,20-21H2
InChIKey
LTUSWEKLNLNGLH-UHFFFAOYSA-N
Compound name
2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 170.5
[M+Na]+ 305.19882 175.2
[M-H]- 281.20232 175.4
[M+NH4]+ 300.24342 185.3
[M+K]+ 321.17276 169.2
[M+H-H2O]+ 265.20686 162.0
[M+HCOO]- 327.20780 194.0
[M+CH3COO]- 341.22345 207.9
[M+Na-2H]- 303.18427 173.1
[M]+ 282.20905 168.7
[M]- 282.21015 168.7
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.