CID 19101438

Oxepan-4-amine

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(CCOC1)N
InChI
InChI=1S/C6H13NO/c7-6-2-1-4-8-5-3-6/h6H,1-5,7H2
InChIKey
JWKWKYIUVWBSCM-UHFFFAOYSA-N
Compound name
oxepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 118.7
[M+Na]+ 138.088938 121.3
[M-H]- 114.092444 122.7
[M+NH4]+ 133.133543 137.6
[M+K]+ 154.062878 126.2
[M+H-H2O]+ 98.096980 113.6
[M+HCOO]- 160.097921 138.7
[M+CH3COO]- 174.113571 171.9
[M+Na-2H]- 136.074386 125.4
[M]+ 115.09917142 110.5
[M]- 115.10026858 110.5
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