CID 12642246

38711-95-4

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1CNC2CCCCC2O1
InChI
InChI=1S/C9H17NO/c1-7-6-10-8-4-2-3-5-9(8)11-7/h7-10H,2-6H2,1H3
InChIKey
OBXYMHAJTBIDRM-UHFFFAOYSA-N
Compound name
2-methyl-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

16
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.2
[M+Na]+ 178.12023 146.1
[M+NH4]+ 173.16483 144.6
[M+K]+ 194.09417 139.9
[M-H]- 154.12373 138.4
[M+Na-2H]- 176.10568 138.7
[M]+ 155.13046 137.5
[M]- 155.13156 137.5
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