CID 105430395

2-(3,6-dihydro-2h-pyran-4-yl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)(CN)C1=CCOCC1
InChI
InChI=1S/C9H17NO/c1-9(2,7-10)8-3-5-11-6-4-8/h3H,4-7,10H2,1-2H3
InChIKey
BUKWTMMHFLDRGS-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.3
[M+Na]+ 178.12023 140.3
[M-H]- 154.12373 138.5
[M+NH4]+ 173.16483 154.5
[M+K]+ 194.09417 140.3
[M+H-H2O]+ 138.12827 129.9
[M+HCOO]- 200.12921 155.2
[M+CH3COO]- 214.14486 178.4
[M+Na-2H]- 176.10568 142.4
[M]+ 155.13046 132.2
[M]- 155.13156 132.2
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

No patent data available for this compound.