CID 4719439

[(2-chlorophenyl)methyl](ethyl)amine

Structural Information

Molecular Formula
C9H12ClN
SMILES
CCNCC1=CC=CC=C1Cl
InChI
InChI=1S/C9H12ClN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKey
QWMNTOVGKJAROU-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

169.06583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.3
[M+Na]+ 192.05505 142.6
[M-H]- 168.05855 137.8
[M+NH4]+ 187.09965 155.6
[M+K]+ 208.02899 138.6
[M+H-H2O]+ 152.06309 129.4
[M+HCOO]- 214.06403 155.3
[M+CH3COO]- 228.07968 181.2
[M+Na-2H]- 190.04050 141.6
[M]+ 169.06528 135.8
[M]- 169.06638 135.8
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

patents stripe