CID 64869728

3-ethyl-1-methyl-1,4-diazepane dihydrochloride

Structural Information

Molecular Formula
C8H18N2
SMILES
CCC1CN(CCCN1)C
InChI
InChI=1S/C8H18N2/c1-3-8-7-10(2)6-4-5-9-8/h8-9H,3-7H2,1-2H3
InChIKey
GQRSANGDSYJTQN-UHFFFAOYSA-N
Compound name
3-ethyl-1-methyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.147 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 128.9
[M+Na]+ 165.136218 132.4
[M-H]- 141.139724 128.8
[M+NH4]+ 160.180823 145.8
[M+K]+ 181.110158 134.8
[M+H-H2O]+ 125.144260 121.7
[M+HCOO]- 187.145201 144.7
[M+CH3COO]- 201.160851 175.6
[M+Na-2H]- 163.121666 133.3
[M]+ 142.14645142 120.8
[M]- 142.14754858 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