CID 439791

N-methylputrescine

Structural Information

Molecular Formula
C5H14N2
SMILES
CNCCCCN
InChI
InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3
InChIKey
RMIVMBYMDISYFZ-UHFFFAOYSA-N
Compound name
N'-methylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1112
Patents

102.1157 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.12298 121.0
[M+Na]+ 125.10492 129.9
[M+NH4]+ 120.14952 129.4
[M+K]+ 141.07886 124.3
[M-H]- 101.10842 122.0
[M+Na-2H]- 123.09037 125.4
[M]+ 102.11515 122.2
[M]- 102.11625 122.2
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