CID 3047332

63252-45-9

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CC(C(=O)NC(C)(C)CC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C13H19ClN2O/c1-9(15)12(17)16-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKey
ZNGZJIRQZDJUQR-UHFFFAOYSA-N
Compound name
2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.11859 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12587 160.0
[M+Na]+ 277.10781 170.0
[M+NH4]+ 272.15241 167.3
[M+K]+ 293.08175 164.6
[M-H]- 253.11131 161.8
[M+Na-2H]- 275.09326 165.0
[M]+ 254.11804 162.1
[M]- 254.11914 162.1
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