CID 13307740

51460-23-2

Structural Information

Molecular Formula
C8H21N3
SMILES
CN(CCCCN)CCCN
InChI
InChI=1S/C8H21N3/c1-11(8-4-6-10)7-3-2-5-9/h2-10H2,1H3
InChIKey
AJVLOCDDVDBRHR-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

159.17355 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.18083 140.0
[M+Na]+ 182.16277 143.9
[M-H]- 158.16627 140.1
[M+NH4]+ 177.20737 160.1
[M+K]+ 198.13671 143.8
[M+H-H2O]+ 142.17081 133.5
[M+HCOO]- 204.17175 165.3
[M+CH3COO]- 218.18740 190.1
[M+Na-2H]- 180.14822 143.6
[M]+ 159.17300 138.7
[M]- 159.17410 138.7
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.