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

361
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 129.9
[M+Na]+ 164.10459 133.5
[M-H]- 140.10809 130.6
[M+NH4]+ 159.14919 148.6
[M+K]+ 180.07853 132.6
[M+H-H2O]+ 124.11263 123.4
[M+HCOO]- 186.11357 143.9
[M+CH3COO]- 200.12922 141.1
[M+Na-2H]- 162.09004 137.1
[M]+ 141.11482 121.6
[M]- 141.11592 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