CID 44145513

N-isononylpropane-1,3-diamine

Structural Information

Molecular Formula
C12H28N2
SMILES
CC(C)CCCCCCNCCCN
InChI
InChI=1S/C12H28N2/c1-12(2)8-5-3-4-6-10-14-11-7-9-13/h12,14H,3-11,13H2,1-2H3
InChIKey
BBVWUROLAUVQBA-UHFFFAOYSA-N
Compound name
N'-(7-methyloctyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.22525 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.232526 155.1
[M+Na]+ 223.214468 157.8
[M-H]- 199.217974 153.7
[M+NH4]+ 218.259073 173.6
[M+K]+ 239.188408 156.1
[M+H-H2O]+ 183.222510 148.7
[M+HCOO]- 245.223451 177.3
[M+CH3COO]- 259.239101 195.3
[M+Na-2H]- 221.199916 157.0
[M]+ 200.22470142 155.3
[M]- 200.22579858 155.3
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

No patent data available for this compound.