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]+ 212.120056 149.1
[M+Na]+ 234.101998 156.4
[M-H]- 210.105504 152.2
[M+NH4]+ 229.146603 168.7
[M+K]+ 250.075938 152.2
[M+H-H2O]+ 194.110040 144.4
[M+HCOO]- 256.110981 166.0
[M+CH3COO]- 270.126631 190.0
[M+Na-2H]- 232.087446 153.1
[M]+ 211.11223142 149.5
[M]- 211.11332858 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