CID 24252544

2-(3-chlorophenyl)-2-methylpropan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

183.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.088756 139.8
[M+Na]+ 206.070698 148.2
[M-H]- 182.074204 143.1
[M+NH4]+ 201.115303 160.5
[M+K]+ 222.044638 143.9
[M+H-H2O]+ 166.078740 135.4
[M+HCOO]- 228.079681 158.3
[M+CH3COO]- 242.095331 183.8
[M+Na-2H]- 204.056146 146.1
[M]+ 183.08093142 140.2
[M]- 183.08202858 140.2
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