CID 44154131

5,8-dimethylspermidine

Structural Information

Molecular Formula
C9H23N3
SMILES
CC(CCC(C)NCCCN)N
InChI
InChI=1S/C9H23N3/c1-8(11)4-5-9(2)12-7-3-6-10/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
DWSORIKZOIATST-UHFFFAOYSA-N
Compound name
5-N-(3-aminopropyl)hexane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

173.1892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.19648 146.0
[M+Na]+ 196.17842 148.9
[M-H]- 172.18192 144.7
[M+NH4]+ 191.22302 164.8
[M+K]+ 212.15236 148.1
[M+H-H2O]+ 156.18646 139.6
[M+HCOO]- 218.18740 168.5
[M+CH3COO]- 232.20305 191.5
[M+Na-2H]- 194.16387 147.2
[M]+ 173.18865 142.5
[M]- 173.18975 142.5
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