CID 50988239

4-[(ethylamino)methyl]-n,n-dimethylbenzamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCNCC1=CC=C(C=C1)C(=O)N(C)C
InChI
InChI=1S/C12H18N2O/c1-4-13-9-10-5-7-11(8-6-10)12(15)14(2)3/h5-8,13H,4,9H2,1-3H3
InChIKey
GFVWUJZYQBKPTJ-UHFFFAOYSA-N
Compound name
4-(ethylaminomethyl)-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.5
[M+Na]+ 229.13112 154.0
[M-H]- 205.13462 153.3
[M+NH4]+ 224.17572 167.6
[M+K]+ 245.10506 153.1
[M+H-H2O]+ 189.13916 141.5
[M+HCOO]- 251.14010 174.0
[M+CH3COO]- 265.15575 196.1
[M+Na-2H]- 227.11657 152.8
[M]+ 206.14135 149.6
[M]- 206.14245 149.6
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.