CID 65440650

[3-(4-chlorophenyl)butan-2-yl](methyl)amine

Structural Information

Molecular Formula
C11H16ClN
SMILES
CC(C1=CC=C(C=C1)Cl)C(C)NC
InChI
InChI=1S/C11H16ClN/c1-8(9(2)13-3)10-4-6-11(12)7-5-10/h4-9,13H,1-3H3
InChIKey
VKHYOQBLPNDMEW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10440 143.7
[M+Na]+ 220.08634 156.5
[M+NH4]+ 215.13094 153.1
[M+K]+ 236.06028 149.3
[M-H]- 196.08984 147.0
[M+Na-2H]- 218.07179 150.8
[M]+ 197.09657 146.8
[M]- 197.09767 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.