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

79
Patents

169.06583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.3
[M+Na]+ 192.055048 142.6
[M-H]- 168.058554 137.8
[M+NH4]+ 187.099653 155.6
[M+K]+ 208.028988 138.6
[M+H-H2O]+ 152.063090 129.4
[M+HCOO]- 214.064031 155.3
[M+CH3COO]- 228.079681 181.2
[M+Na-2H]- 190.040496 141.6
[M]+ 169.06528142 135.8
[M]- 169.06637858 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