CID 4204029

2-(oxolan-2-yl)azepane

Structural Information

Molecular Formula
C10H19NO
SMILES
C1CCC(NCC1)C2CCCO2
InChI
InChI=1S/C10H19NO/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h9-11H,1-8H2
InChIKey
DCIMNTUWZQNTHD-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.15395 136.7
[M+Na]+ 192.13589 137.6
[M-H]- 168.13939 140.5
[M+NH4]+ 187.18049 153.2
[M+K]+ 208.10983 139.6
[M+H-H2O]+ 152.14393 129.6
[M+HCOO]- 214.14487 151.7
[M+CH3COO]- 228.16052 146.9
[M+Na-2H]- 190.12134 139.2
[M]+ 169.14612 125.7
[M]- 169.14722 125.7
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.