CID 65523

Aminopropylcadaverine

Structural Information

Molecular Formula
C8H21N3
SMILES
C(CCN)CCNCCCN
InChI
InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2
InChIKey
QZBYOYPROVGOGE-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

457
Patents

159.17355 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.18083 138.5
[M+Na]+ 182.16277 142.2
[M-H]- 158.16627 137.1
[M+NH4]+ 177.20737 157.9
[M+K]+ 198.13671 140.7
[M+H-H2O]+ 142.17081 132.2
[M+HCOO]- 204.17175 163.3
[M+CH3COO]- 218.18740 186.7
[M+Na-2H]- 180.14822 143.0
[M]+ 159.17300 136.0
[M]- 159.17410 136.0
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.