CID 44236

N-(2-dimethylaminoethyl)-4-methylbenzamidine dihydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
CC1=CC=C(C=C1)C(=NCCN(C)C)N
InChI
InChI=1S/C12H19N3/c1-10-4-6-11(7-5-10)12(13)14-8-9-15(2)3/h4-7H,8-9H2,1-3H3,(H2,13,14)
InChIKey
FCKZPFBSTBAPHW-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-4-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.5
[M+Na]+ 228.147118 154.7
[M-H]- 204.150624 155.2
[M+NH4]+ 223.191723 168.8
[M+K]+ 244.121058 153.8
[M+H-H2O]+ 188.155160 142.0
[M+HCOO]- 250.156101 176.7
[M+CH3COO]- 264.171751 201.0
[M+Na-2H]- 226.132566 153.6
[M]+ 205.15735142 149.3
[M]- 205.15844858 149.3
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

No patent data available for this compound.