CID 137935679

2253641-11-9

Structural Information

Molecular Formula
C9H17NO
SMILES
CC12CCCNC1CCOC2
InChI
InChI=1S/C9H17NO/c1-9-4-2-5-10-8(9)3-6-11-7-9/h8,10H,2-7H2,1H3
InChIKey
BZBDUDTVTUVMMK-UHFFFAOYSA-N
Compound name
4a-methyl-1,2,3,4,5,7,8,8a-octahydropyrano[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.1
[M+Na]+ 178.120228 139.3
[M-H]- 154.123734 136.1
[M+NH4]+ 173.164833 155.3
[M+K]+ 194.094168 138.4
[M+H-H2O]+ 138.128270 128.9
[M+HCOO]- 200.129211 148.7
[M+CH3COO]- 214.144861 146.3
[M+Na-2H]- 176.105676 142.7
[M]+ 155.13046142 127.5
[M]- 155.13155858 127.5
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

No patent data available for this compound.