CID 16762484

Octahydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CCC2C(C1)NCCO2
InChI
InChI=1S/C8H15NO/c1-2-4-8-7(3-1)9-5-6-10-8/h7-9H,1-6H2
InChIKey
AGYZKRGPZJEWPN-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
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 129.9
[M+Na]+ 164.104588 133.5
[M-H]- 140.108094 130.6
[M+NH4]+ 159.149193 148.6
[M+K]+ 180.078528 132.6
[M+H-H2O]+ 124.112630 123.4
[M+HCOO]- 186.113571 143.9
[M+CH3COO]- 200.129221 141.1
[M+Na-2H]- 162.090036 137.1
[M]+ 141.11482142 121.6
[M]- 141.11591858 121.6
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