CID 43184844

1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine

Structural Information

Molecular Formula
C12H18ClN
SMILES
CC(C)(C)CC(C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C12H18ClN/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11H,8,14H2,1-3H3
InChIKey
OOXVXVVHOKQXIZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3,3-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.11278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12006 149.1
[M+Na]+ 234.10200 156.4
[M-H]- 210.10550 152.2
[M+NH4]+ 229.14660 168.7
[M+K]+ 250.07594 152.2
[M+H-H2O]+ 194.11004 144.4
[M+HCOO]- 256.11098 166.0
[M+CH3COO]- 270.12663 190.0
[M+Na-2H]- 232.08745 153.1
[M]+ 211.11223 149.5
[M]- 211.11333 149.5
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