CID 11137361

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

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCN(C1)C2=CCOCC2
InChI
InChI=1S/C9H15NO/c1-2-6-10(5-1)9-3-7-11-8-4-9/h3H,1-2,4-8H2
InChIKey
MYXXCWHPWZMVIO-UHFFFAOYSA-N
Compound name
1-(3,6-dihydro-2H-pyran-4-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.9
[M+Na]+ 176.104588 137.5
[M-H]- 152.108094 137.7
[M+NH4]+ 171.149193 152.5
[M+K]+ 192.078528 137.4
[M+H-H2O]+ 136.112630 125.9
[M+HCOO]- 198.113571 152.0
[M+CH3COO]- 212.129221 145.5
[M+Na-2H]- 174.090036 137.8
[M]+ 153.11482142 127.8
[M]- 153.11591858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe