CID 210910

Phenethylamine, p-chloro-alpha,beta,n,n-tetramethyl-

Structural Information

Molecular Formula
C12H18ClN
SMILES
CC(C1=CC=C(C=C1)Cl)C(C)N(C)C
InChI
InChI=1S/C12H18ClN/c1-9(10(2)14(3)4)11-5-7-12(13)8-6-11/h5-10H,1-4H3
InChIKey
DJWOLNWBAIJZRN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dimethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.120056 147.9
[M+Na]+ 234.101998 154.6
[M-H]- 210.105504 152.7
[M+NH4]+ 229.146603 168.2
[M+K]+ 250.075938 152.2
[M+H-H2O]+ 194.110040 142.6
[M+HCOO]- 256.110981 166.5
[M+CH3COO]- 270.126631 195.5
[M+Na-2H]- 232.087446 150.5
[M]+ 211.11223142 150.7
[M]- 211.11332858 150.7
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.