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

13
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 134.7
[M+Na]+ 178.120228 139.0
[M-H]- 154.123734 135.7
[M+NH4]+ 173.164833 153.2
[M+K]+ 194.094168 137.8
[M+H-H2O]+ 138.128270 128.3
[M+HCOO]- 200.129211 148.4
[M+CH3COO]- 214.144861 173.7
[M+Na-2H]- 176.105676 140.7
[M]+ 155.13046142 127.2
[M]- 155.13155858 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