CID 20348476

1-cyclopropyl-1,4-diazepane

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CNCCN(C1)C2CC2
InChI
InChI=1S/C8H16N2/c1-4-9-5-7-10(6-1)8-2-3-8/h8-9H,1-7H2
InChIKey
KZZRCKSXKSHUSD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
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 128.7
[M+Na]+ 163.120568 133.0
[M-H]- 139.124074 132.0
[M+NH4]+ 158.165173 140.6
[M+K]+ 179.094508 134.3
[M+H-H2O]+ 123.128610 120.4
[M+HCOO]- 185.129551 145.3
[M+CH3COO]- 199.145201 139.2
[M+Na-2H]- 161.106016 134.0
[M]+ 140.13080142 121.4
[M]- 140.13189858 121.4
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