CID 22379510

910400-04-3

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC1=C(C=CC(=C1)CCN)Cl
InChI
InChI=1S/C9H12ClN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3
InChIKey
MPNPFPFKBJLZFF-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.5
[M+Na]+ 192.05505 143.8
[M-H]- 168.05855 138.0
[M+NH4]+ 187.09965 156.0
[M+K]+ 208.02899 139.5
[M+H-H2O]+ 152.06309 130.0
[M+HCOO]- 214.06403 154.9
[M+CH3COO]- 228.07968 181.6
[M+Na-2H]- 190.04050 140.1
[M]+ 169.06528 135.4
[M]- 169.06638 135.4
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