CID 83479825

2243513-73-5

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2COCCC2CC1N
InChI
InChI=1S/C9H17NO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h7-9H,1-6,10H2
InChIKey
FWVZKUZSZVGNSO-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 133.3
[M+Na]+ 178.120228 137.2
[M-H]- 154.123734 136.7
[M+NH4]+ 173.164833 153.3
[M+K]+ 194.094168 136.5
[M+H-H2O]+ 138.128270 127.5
[M+HCOO]- 200.129211 150.2
[M+CH3COO]- 214.144861 177.8
[M+Na-2H]- 176.105676 139.3
[M]+ 155.13046142 125.5
[M]- 155.13155858 125.5
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.