CID 256612

21354-40-5

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC=C(C=C1)NC(=O)C(C)(C)C
InChI
InChI=1S/C12H17NO/c1-9-5-7-10(8-6-9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey
AJDJGYGXHCQGSM-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.8
[M+Na]+ 214.12023 156.2
[M+NH4]+ 209.16483 152.9
[M+K]+ 230.09417 150.5
[M-H]- 190.12373 146.8
[M+Na-2H]- 212.10568 151.2
[M]+ 191.13046 147.0
[M]- 191.13156 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe