CID 12822807

{3-[(diethylamino)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C12H20N2
SMILES
CCN(CC)CC1=CC=CC(=C1)CN
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)10-12-7-5-6-11(8-12)9-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
VMRIINWHXFWDNE-UHFFFAOYSA-N
Compound name
N-[[3-(aminomethyl)phenyl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.1
[M+Na]+ 215.15186 157.2
[M+NH4]+ 210.19646 154.9
[M+K]+ 231.12580 150.0
[M-H]- 191.15536 150.1
[M+Na-2H]- 213.13731 153.0
[M]+ 192.16209 148.7
[M]- 192.16319 148.7
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

patents stripe