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]+ 227.13095 153.5
[M+Na]+ 249.11289 159.8
[M-H]- 225.11639 157.4
[M+NH4]+ 244.15749 172.5
[M+K]+ 265.08683 155.9
[M+H-H2O]+ 209.12093 147.3
[M+HCOO]- 271.12187 174.4
[M+CH3COO]- 285.13752 197.8
[M+Na-2H]- 247.09834 157.5
[M]+ 226.12312 155.6
[M]- 226.12422 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