CID 4962718

1-(2-(aminomethyl)phenyl)-n,n-dimethylmethanamine dihydrochloride

Structural Information

Molecular Formula
C10H16N2
SMILES
CN(C)CC1=CC=CC=C1CN
InChI
InChI=1S/C10H16N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,7-8,11H2,1-2H3
InChIKey
GRRUSEDCZUTRDP-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

164.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.9
[M+Na]+ 187.12057 143.3
[M-H]- 163.12407 141.5
[M+NH4]+ 182.16517 157.7
[M+K]+ 203.09451 142.1
[M+H-H2O]+ 147.12861 130.5
[M+HCOO]- 209.12955 163.1
[M+CH3COO]- 223.14520 188.0
[M+Na-2H]- 185.10602 142.6
[M]+ 164.13080 136.3
[M]- 164.13190 136.3
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