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]+ 160.18083 140.2
[M+Na]+ 182.16277 143.7
[M-H]- 158.16627 138.9
[M+NH4]+ 177.20737 159.5
[M+K]+ 198.13671 142.6
[M+H-H2O]+ 142.17081 133.9
[M+HCOO]- 204.17175 164.0
[M+CH3COO]- 218.18740 187.5
[M+Na-2H]- 180.14822 143.3
[M]+ 159.17300 137.0
[M]- 159.17410 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.