CID 3022754

1,4-bis(n-propylaminomethyl)benzene dihydrochloride

Structural Information

Molecular Formula
C14H24N2
SMILES
CCCNCC1=CC=C(C=C1)CNCCC
InChI
InChI=1S/C14H24N2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKey
CZWUVLXIZHIDPA-UHFFFAOYSA-N
Compound name
N-[[4-(propylaminomethyl)phenyl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.19395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 154.2
[M+Na]+ 243.18317 158.6
[M-H]- 219.18667 157.0
[M+NH4]+ 238.22777 172.2
[M+K]+ 259.15711 155.4
[M+H-H2O]+ 203.19121 147.0
[M+HCOO]- 265.19215 179.1
[M+CH3COO]- 279.20780 197.4
[M+Na-2H]- 241.16862 159.6
[M]+ 220.19340 154.8
[M]- 220.19450 154.8
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