CID 43498379

1807941-34-9

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]+ 142.122646 126.6
[M+Na]+ 164.104588 129.7
[M-H]- 140.108094 129.0
[M+NH4]+ 159.149193 145.8
[M+K]+ 180.078528 131.7
[M+H-H2O]+ 124.112630 120.9
[M+HCOO]- 186.113571 142.3
[M+CH3COO]- 200.129221 138.1
[M+Na-2H]- 162.090036 131.9
[M]+ 141.11482142 117.7
[M]- 141.11591858 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