CID 132108

1-methylspermidine

Structural Information

Molecular Formula
C8H21N3
SMILES
CC(CCNCCCCN)N
InChI
InChI=1S/C8H21N3/c1-8(10)4-7-11-6-3-2-5-9/h8,11H,2-7,9-10H2,1H3
InChIKey
PZSFTBARUSGJTA-UHFFFAOYSA-N
Compound name
1-N-(4-aminobutyl)butane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

42
Patents

159.17355 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.180826 140.2
[M+Na]+ 182.162768 143.7
[M-H]- 158.166274 138.9
[M+NH4]+ 177.207373 159.5
[M+K]+ 198.136708 142.6
[M+H-H2O]+ 142.170810 133.9
[M+HCOO]- 204.171751 164.0
[M+CH3COO]- 218.187401 187.5
[M+Na-2H]- 180.148216 143.3
[M]+ 159.17300142 137.0
[M]- 159.17409858 137.0
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