CID 432841

1,3-bis(dimethylaminomethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

170
Patents

192.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 145.9
[M+Na]+ 215.15186 157.6
[M+NH4]+ 210.19646 155.2
[M+K]+ 231.12580 150.7
[M-H]- 191.15536 150.5
[M+Na-2H]- 213.13731 153.6
[M]+ 192.16209 148.9
[M]- 192.16319 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe