CID 56924585

4-(morpholin-4-yl)azepane

Structural Information

Molecular Formula
C10H20N2O
SMILES
C1CC(CCNC1)N2CCOCC2
InChI
InChI=1S/C10H20N2O/c1-2-10(3-5-11-4-1)12-6-8-13-9-7-12/h10-11H,1-9H2
InChIKey
GXTOUPLOWMLMMH-UHFFFAOYSA-N
Compound name
4-(azepan-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.15756 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 146.5
[M+Na]+ 207.14678 154.5
[M+NH4]+ 202.19138 153.7
[M+K]+ 223.12072 150.3
[M-H]- 183.15028 149.5
[M+Na-2H]- 205.13223 150.8
[M]+ 184.15701 148.2
[M]- 184.15811 148.2
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