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

153
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 118.7
[M+Na]+ 138.08894 121.3
[M-H]- 114.09244 122.7
[M+NH4]+ 133.13354 137.6
[M+K]+ 154.06288 126.2
[M+H-H2O]+ 98.096980 113.6
[M+HCOO]- 160.09792 138.7
[M+CH3COO]- 174.11357 171.9
[M+Na-2H]- 136.07439 125.4
[M]+ 115.09917 110.5
[M]- 115.10027 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