CID 4962836

(3-aminopropyl)(benzyl)methylamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CN(CCCN)CC1=CC=CC=C1
InChI
InChI=1S/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3
InChIKey
LZQYISZOMMPPIP-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

116
Patents

178.147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.7
[M+Na]+ 201.13622 146.6
[M-H]- 177.13972 145.6
[M+NH4]+ 196.18082 161.5
[M+K]+ 217.11016 145.2
[M+H-H2O]+ 161.14426 134.7
[M+HCOO]- 223.14520 167.5
[M+CH3COO]- 237.16085 189.9
[M+Na-2H]- 199.12167 147.5
[M]+ 178.14645 141.0
[M]- 178.14755 141.0
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