CID 12559037

1-(4-chlorophenyl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C10H14ClN
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C10H14ClN/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKey
KAIHEXRERGCTPN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.08148 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.088756 139.8
[M+Na]+ 206.070698 147.2
[M-H]- 182.074204 143.0
[M+NH4]+ 201.115303 160.3
[M+K]+ 222.044638 143.5
[M+H-H2O]+ 166.078740 135.1
[M+HCOO]- 228.079681 158.0
[M+CH3COO]- 242.095331 185.2
[M+Na-2H]- 204.056146 143.1
[M]+ 183.08093142 139.5
[M]- 183.08202858 139.5
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