CID 12707239

1011-59-2

Structural Information

Molecular Formula
C11H16ClN
SMILES
CN(C)CCC(C1=CC=CC=C1)Cl
InChI
InChI=1S/C11H16ClN/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
YJWZCUHMWDKUES-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

197.09712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10440 143.5
[M+Na]+ 220.08634 156.6
[M+NH4]+ 215.13094 153.3
[M+K]+ 236.06028 148.8
[M-H]- 196.08984 147.3
[M+Na-2H]- 218.07179 151.5
[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.

Literature stripe

literature stripe

Patent stripe

patents stripe