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 140.6
[M+Na]+ 207.14678 140.9
[M-H]- 183.15028 142.7
[M+NH4]+ 202.19138 153.6
[M+K]+ 223.12072 143.4
[M+H-H2O]+ 167.15482 131.6
[M+HCOO]- 229.15576 152.4
[M+CH3COO]- 243.17141 149.5
[M+Na-2H]- 205.13223 144.5
[M]+ 184.15701 128.2
[M]- 184.15811 128.2
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