CID 12261797

1-propyl-1,4-diazepane

Structural Information

Molecular Formula
C8H18N2
SMILES
CCCN1CCCNCC1
InChI
InChI=1S/C8H18N2/c1-2-6-10-7-3-4-9-5-8-10/h9H,2-8H2,1H3
InChIKey
GXRSWAZGYHZTSQ-UHFFFAOYSA-N
Compound name
1-propyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

142.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 129.2
[M+Na]+ 165.13622 131.8
[M-H]- 141.13972 128.7
[M+NH4]+ 160.18082 145.8
[M+K]+ 181.11016 134.1
[M+H-H2O]+ 125.14426 121.7
[M+HCOO]- 187.14520 145.0
[M+CH3COO]- 201.16085 174.6
[M+Na-2H]- 163.12167 134.3
[M]+ 142.14645 120.7
[M]- 142.14755 120.7
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