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

119
Patents

140.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 128.3
[M+Na]+ 163.12057 131.2
[M-H]- 139.12407 127.8
[M+NH4]+ 158.16517 144.9
[M+K]+ 179.09451 132.9
[M+H-H2O]+ 123.12861 120.9
[M+HCOO]- 185.12955 144.3
[M+CH3COO]- 199.14520 173.7
[M+Na-2H]- 161.10602 133.4
[M]+ 140.13080 119.2
[M]- 140.13190 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