CID 12707239

79130-51-1

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

166
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 144.2
[M+Na]+ 220.08634 150.6
[M-H]- 196.08984 148.6
[M+NH4]+ 215.13094 164.7
[M+K]+ 236.06028 147.9
[M+H-H2O]+ 180.09438 138.5
[M+HCOO]- 242.09532 164.0
[M+CH3COO]- 256.11097 190.5
[M+Na-2H]- 218.07179 149.1
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.