CID 1045

1,4-diaminobutane

Structural Information

Molecular Formula
C4H12N2
SMILES
C(CCN)CN
InChI
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey
KIDHWZJUCRJVML-UHFFFAOYSA-N
Compound name
butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

6432
References

58443
Patents

88.10005 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 116.5
[M+Na]+ 111.08927 125.2
[M+NH4]+ 106.13387 124.8
[M+K]+ 127.06321 120.1
[M-H]- 87.092774 117.3
[M+Na-2H]- 109.07472 120.7
[M]+ 88.099501 117.6
[M]- 88.100599 117.6
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