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 134.7
[M+Na]+ 178.12023 139.0
[M-H]- 154.12373 135.7
[M+NH4]+ 173.16483 153.2
[M+K]+ 194.09417 137.8
[M+H-H2O]+ 138.12827 128.3
[M+HCOO]- 200.12921 148.4
[M+CH3COO]- 214.14486 173.7
[M+Na-2H]- 176.10568 140.7
[M]+ 155.13046 127.2
[M]- 155.13156 127.2
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