CID 75456971

3-(2-methoxyethyl)azepane

Structural Information

Molecular Formula
C9H19NO
SMILES
COCCC1CCCCNC1
InChI
InChI=1S/C9H19NO/c1-11-7-5-9-4-2-3-6-10-8-9/h9-10H,2-8H2,1H3
InChIKey
XMXJFWWVIWEVQJ-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 132.2
[M+Na]+ 180.135888 134.2
[M-H]- 156.139394 132.9
[M+NH4]+ 175.180493 149.4
[M+K]+ 196.109828 136.8
[M+H-H2O]+ 140.143930 126.0
[M+HCOO]- 202.144871 149.2
[M+CH3COO]- 216.160521 176.7
[M+Na-2H]- 178.121336 136.7
[M]+ 157.14612142 124.9
[M]- 157.14721858 124.9
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

No patent data available for this compound.