CID 16786610

N-[3-(aminomethyl)phenyl]-2-methylbutanamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCC(C)C(=O)NC1=CC=CC(=C1)CN
InChI
InChI=1S/C12H18N2O/c1-3-9(2)12(15)14-11-6-4-5-10(7-11)8-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKey
XCJGXWRVOSGDDO-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 149.4
[M+Na]+ 229.131118 154.5
[M-H]- 205.134624 152.3
[M+NH4]+ 224.175723 167.5
[M+K]+ 245.105058 152.4
[M+H-H2O]+ 189.139160 142.7
[M+HCOO]- 251.140101 172.8
[M+CH3COO]- 265.155751 192.9
[M+Na-2H]- 227.116566 152.2
[M]+ 206.14135142 147.6
[M]- 206.14244858 147.6
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

patents stripe