CID 577774

N-(3-aminopropyl)-n-methylaniline

Structural Information

Molecular Formula
C10H16N2
SMILES
CN(CCCN)C1=CC=CC=C1
InChI
InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChIKey
WGHBKYWUOOANEX-UHFFFAOYSA-N
Compound name
N'-methyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

164.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.3
[M+Na]+ 187.12057 148.4
[M+NH4]+ 182.16517 146.4
[M+K]+ 203.09451 141.6
[M-H]- 163.12407 141.3
[M+Na-2H]- 185.10602 144.9
[M]+ 164.13080 139.9
[M]- 164.13190 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe