CID 16495031

2-{3-[(dimethylamino)methyl]phenyl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H18N2
SMILES
CN(C)CC1=CC=CC(=C1)CCN
InChI
InChI=1S/C11H18N2/c1-13(2)9-11-5-3-4-10(8-11)6-7-12/h3-5,8H,6-7,9,12H2,1-2H3
InChIKey
NFIGEQLQHBAPDX-UHFFFAOYSA-N
Compound name
2-[3-[(dimethylamino)methyl]phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

178.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.5
[M+Na]+ 201.13622 152.8
[M+NH4]+ 196.18082 150.5
[M+K]+ 217.11016 145.9
[M-H]- 177.13972 145.6
[M+Na-2H]- 199.12167 148.7
[M]+ 178.14645 144.2
[M]- 178.14755 144.2
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