CID 43498379

Rac-(5ar,8ar)-octahydro-2h-cyclopenta[b][1,4]oxazepine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2C(C1)OCCCN2
InChI
InChI=1S/C8H15NO/c1-3-7-8(4-1)10-6-2-5-9-7/h7-9H,1-6H2
InChIKey
NJJUVEHYGBGSLY-UHFFFAOYSA-N
Compound name
3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b][1,4]oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 126.6
[M+Na]+ 164.10459 129.7
[M-H]- 140.10809 129.0
[M+NH4]+ 159.14919 145.8
[M+K]+ 180.07853 131.7
[M+H-H2O]+ 124.11263 120.9
[M+HCOO]- 186.11357 142.3
[M+CH3COO]- 200.12922 138.1
[M+Na-2H]- 162.09004 131.9
[M]+ 141.11482 117.7
[M]- 141.11592 117.7
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