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

15
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 122.9
[M+Na]+ 152.104588 125.7
[M-H]- 128.108094 124.5
[M+NH4]+ 147.149193 140.0
[M+K]+ 168.078528 129.6
[M+H-H2O]+ 112.112630 116.9
[M+HCOO]- 174.113571 139.6
[M+CH3COO]- 188.129221 170.9
[M+Na-2H]- 150.090036 129.4
[M]+ 129.11482142 115.4
[M]- 129.11591858 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