CID 22921984

229162-11-2

Structural Information

Molecular Formula
C8H16N2
SMILES
C=CCN1CCCNCC1
InChI
InChI=1S/C8H16N2/c1-2-6-10-7-3-4-9-5-8-10/h2,9H,1,3-8H2
InChIKey
CXDJAFGJFWDOHN-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

140.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 128.3
[M+Na]+ 163.120568 131.2
[M-H]- 139.124074 127.8
[M+NH4]+ 158.165173 144.9
[M+K]+ 179.094508 132.9
[M+H-H2O]+ 123.128610 120.9
[M+HCOO]- 185.129551 144.3
[M+CH3COO]- 199.145201 173.7
[M+Na-2H]- 161.106016 133.4
[M]+ 140.13080142 119.2
[M]- 140.13189858 119.2
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