CID 115925

Usaf el-77

Structural Information

Molecular Formula
C11H16ClN
SMILES
CN(C)CCCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClN/c1-13(2)9-3-4-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
LLGYFLPUEUNVOQ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

197.09712 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.104396 143.5
[M+Na]+ 220.086338 151.1
[M-H]- 196.089844 148.2
[M+NH4]+ 215.130943 164.4
[M+K]+ 236.060278 148.0
[M+H-H2O]+ 180.094380 138.0
[M+HCOO]- 242.095321 164.4
[M+CH3COO]- 256.110971 190.7
[M+Na-2H]- 218.071786 149.0
[M]+ 197.09657142 147.1
[M]- 197.09766858 147.1
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