CID 16228056

4-(aminomethyl)-n-methyl-n-(propan-2-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC(C)N(C)C(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C12H18N2O/c1-9(2)14(3)12(15)11-6-4-10(8-13)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKey
CINROHPPTHQGJY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-methyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 149.3
[M+Na]+ 229.131118 154.7
[M-H]- 205.134624 153.8
[M+NH4]+ 224.175723 168.2
[M+K]+ 245.105058 153.9
[M+H-H2O]+ 189.139160 142.5
[M+HCOO]- 251.140101 173.2
[M+CH3COO]- 265.155751 196.4
[M+Na-2H]- 227.116566 151.4
[M]+ 206.14135142 148.8
[M]- 206.14244858 148.8
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.