CID 66905

104-11-0

Structural Information

Molecular Formula
C8H10ClN
SMILES
CNCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
LMBUJNXYGGNSAH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

628
Patents

155.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.1
[M+Na]+ 178.03939 143.2
[M+NH4]+ 173.08399 139.3
[M+K]+ 194.01333 135.1
[M-H]- 154.04289 132.9
[M+Na-2H]- 176.02484 137.8
[M]+ 155.04962 132.5
[M]- 155.05072 132.5
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