CID 4714989

2-(furan-2-yl)azepane

Structural Information

Molecular Formula
C10H15NO
SMILES
C1CCC(NCC1)C2=CC=CO2
InChI
InChI=1S/C10H15NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h4,6,8-9,11H,1-3,5,7H2
InChIKey
KEXPGFWECJUYDV-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 133.3
[M+Na]+ 188.10459 136.3
[M-H]- 164.10809 137.9
[M+NH4]+ 183.14919 150.3
[M+K]+ 204.07853 138.2
[M+H-H2O]+ 148.11263 126.5
[M+HCOO]- 210.11357 151.1
[M+CH3COO]- 224.12922 144.7
[M+Na-2H]- 186.09004 137.8
[M]+ 165.11482 125.1
[M]- 165.11592 125.1
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.