CID 84107049

6-ethyl-1-methyl-1,4-diazepane

Structural Information

Molecular Formula
C8H18N2
SMILES
CCC1CNCCN(C1)C
InChI
InChI=1S/C8H18N2/c1-3-8-6-9-4-5-10(2)7-8/h8-9H,3-7H2,1-2H3
InChIKey
XJZPHBKPSFKUPP-UHFFFAOYSA-N
Compound name
6-ethyl-1-methyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.147 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 128.9
[M+Na]+ 165.13622 132.4
[M-H]- 141.13972 128.8
[M+NH4]+ 160.18082 145.8
[M+K]+ 181.11016 134.8
[M+H-H2O]+ 125.14426 121.7
[M+HCOO]- 187.14520 144.7
[M+CH3COO]- 201.16085 175.6
[M+Na-2H]- 163.12167 133.3
[M]+ 142.14645 120.8
[M]- 142.14755 120.8
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

patents stripe