CID 56698912

N,n-dimethylazepan-4-amine

Structural Information

Molecular Formula
C8H18N2
SMILES
CN(C)C1CCCNCC1
InChI
InChI=1S/C8H18N2/c1-10(2)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
InChIKey
CPQNSCBDTYTUGF-UHFFFAOYSA-N
Compound name
N,N-dimethylazepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

142.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 128.6
[M+Na]+ 165.13622 130.5
[M-H]- 141.13972 131.0
[M+NH4]+ 160.18082 146.8
[M+K]+ 181.11016 134.3
[M+H-H2O]+ 125.14426 121.9
[M+HCOO]- 187.14520 147.2
[M+CH3COO]- 201.16085 179.8
[M+Na-2H]- 163.12167 133.3
[M]+ 142.14645 120.1
[M]- 142.14755 120.1
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