CID 122721

3-chloro-n-methylbenzylamine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
References

485
Patents

155.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 129.6
[M+Na]+ 178.039388 138.3
[M-H]- 154.042894 133.3
[M+NH4]+ 173.083993 151.5
[M+K]+ 194.013328 134.6
[M+H-H2O]+ 138.047430 125.0
[M+HCOO]- 200.048371 150.9
[M+CH3COO]- 214.064021 178.1
[M+Na-2H]- 176.024836 137.5
[M]+ 155.04962142 130.7
[M]- 155.05071858 130.7
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