CID 210910

74051-06-2

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]+ 212.12006 147.9
[M+Na]+ 234.10200 154.6
[M-H]- 210.10550 152.7
[M+NH4]+ 229.14660 168.2
[M+K]+ 250.07594 152.2
[M+H-H2O]+ 194.11004 142.6
[M+HCOO]- 256.11098 166.5
[M+CH3COO]- 270.12663 195.5
[M+Na-2H]- 232.08745 150.5
[M]+ 211.11223 150.7
[M]- 211.11333 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.