CID 39246982

(2-aminoethyl)[(3-chlorophenyl)methyl]propylamine

Structural Information

Molecular Formula
C12H19ClN2
SMILES
CCCN(CCN)CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H19ClN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3
InChIKey
KQIZGSFTCYGIEL-UHFFFAOYSA-N
Compound name
N'-[(3-chlorophenyl)methyl]-N'-propylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.12367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.130946 153.5
[M+Na]+ 249.112888 159.8
[M-H]- 225.116394 157.4
[M+NH4]+ 244.157493 172.5
[M+K]+ 265.086828 155.9
[M+H-H2O]+ 209.120930 147.3
[M+HCOO]- 271.121871 174.4
[M+CH3COO]- 285.137521 197.8
[M+Na-2H]- 247.098336 157.5
[M]+ 226.12312142 155.6
[M]- 226.12421858 155.6
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