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

235
Patents

142.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 129.2
[M+Na]+ 165.136218 131.8
[M-H]- 141.139724 128.7
[M+NH4]+ 160.180823 145.8
[M+K]+ 181.110158 134.1
[M+H-H2O]+ 125.144260 121.7
[M+HCOO]- 187.145201 145.0
[M+CH3COO]- 201.160851 174.6
[M+Na-2H]- 163.121666 134.3
[M]+ 142.14645142 120.7
[M]- 142.14754858 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