CID 43498380

2-ethyl-1,4-oxazepane

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC1CNCCCO1
InChI
InChI=1S/C7H15NO/c1-2-7-6-8-4-3-5-9-7/h7-8H,2-6H2,1H3
InChIKey
IZOKYULTUXDKBK-UHFFFAOYSA-N
Compound name
2-ethyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 122.9
[M+Na]+ 152.10459 125.7
[M-H]- 128.10809 124.5
[M+NH4]+ 147.14919 140.0
[M+K]+ 168.07853 129.6
[M+H-H2O]+ 112.11263 116.9
[M+HCOO]- 174.11357 139.6
[M+CH3COO]- 188.12922 170.9
[M+Na-2H]- 150.09004 129.4
[M]+ 129.11482 115.4
[M]- 129.11592 115.4
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