CID 34178635

1,4-diazepan-6-amine

Structural Information

Molecular Formula
C5H13N3
SMILES
C1CNCC(CN1)N
InChI
InChI=1S/C5H13N3/c6-5-3-7-1-2-8-4-5/h5,7-8H,1-4,6H2
InChIKey
RVBVQBYYWQSUAB-UHFFFAOYSA-N
Compound name
1,4-diazepan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

115.11095 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.11823 121.4
[M+Na]+ 138.10017 128.3
[M+NH4]+ 133.14477 128.2
[M+K]+ 154.07411 125.6
[M-H]- 114.10367 121.4
[M+Na-2H]- 136.08562 125.7
[M]+ 115.11040 121.9
[M]- 115.11150 121.9
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