CID 16782230

1-cyclopentyl-1,4-diazepane

Structural Information

Molecular Formula
C10H20N2
SMILES
C1CCC(C1)N2CCCNCC2
InChI
InChI=1S/C10H20N2/c1-2-5-10(4-1)12-8-3-6-11-7-9-12/h10-11H,1-9H2
InChIKey
DPTJLUGTAUOTFU-UHFFFAOYSA-N
Compound name
1-cyclopentyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

168.16264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 138.7
[M+Na]+ 191.15186 139.7
[M-H]- 167.15536 140.6
[M+NH4]+ 186.19646 155.2
[M+K]+ 207.12580 140.4
[M+H-H2O]+ 151.15990 129.8
[M+HCOO]- 213.16084 153.1
[M+CH3COO]- 227.17649 148.2
[M+Na-2H]- 189.13731 140.2
[M]+ 168.16209 126.3
[M]- 168.16319 126.3
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