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 160.1
[M+Na]+ 277.10781 166.1
[M-H]- 253.11131 163.1
[M+NH4]+ 272.15241 177.4
[M+K]+ 293.08175 162.1
[M+H-H2O]+ 237.11585 154.8
[M+HCOO]- 299.11679 177.2
[M+CH3COO]- 313.13244 200.0
[M+Na-2H]- 275.09326 162.7
[M]+ 254.11804 160.4
[M]- 254.11914 160.4
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