CID 21471151

1,4-oxazocane

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCOCCNC1
InChI
InChI=1S/C6H13NO/c1-2-5-8-6-4-7-3-1/h7H,1-6H2
InChIKey
NZBVQPIZDGSDNN-UHFFFAOYSA-N
Compound name
1,4-oxazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 134.6
[M+Na]+ 138.08894 138.4
[M-H]- 114.09244 135.2
[M+NH4]+ 133.13354 143.2
[M+K]+ 154.06288 139.7
[M+H-H2O]+ 98.096980 131.2
[M+HCOO]- 160.09792 142.7
[M+CH3COO]- 174.11357 213.9
[M+Na-2H]- 136.07439 137.0
[M]+ 115.09917 132.0
[M]- 115.10027 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe