CID 6486600

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

Structural Information

Molecular Formula
C12H20N2
SMILES
CCN(CC)CC1=CC=CC=C1CN
InChI
InChI=1S/C12H20N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
CVVJKBIPNSXFSQ-UHFFFAOYSA-N
Compound name
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 146.2
[M+Na]+ 215.15186 151.7
[M-H]- 191.15536 150.4
[M+NH4]+ 210.19646 165.8
[M+K]+ 231.12580 150.0
[M+H-H2O]+ 175.15990 139.3
[M+HCOO]- 237.16084 171.7
[M+CH3COO]- 251.17649 194.1
[M+Na-2H]- 213.13731 150.8
[M]+ 192.16209 146.3
[M]- 192.16319 146.3
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