CID 44629768

N-benzyl-2-methyl-1,3-propanediamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CC(CN)CNCC1=CC=CC=C1
InChI
InChI=1S/C11H18N2/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3
InChIKey
RICFCTFKNQIVMT-UHFFFAOYSA-N
Compound name
N'-benzyl-2-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

178.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.9
[M+Na]+ 201.13622 146.4
[M-H]- 177.13972 144.4
[M+NH4]+ 196.18082 161.0
[M+K]+ 217.11016 144.0
[M+H-H2O]+ 161.14426 135.2
[M+HCOO]- 223.14520 166.2
[M+CH3COO]- 237.16085 187.3
[M+Na-2H]- 199.12167 147.3
[M]+ 178.14645 139.3
[M]- 178.14755 139.3
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