CID 190151

91443-94-6

Structural Information

Molecular Formula
C9H15NO
SMILES
C=CC12C(CCCO1)CCN2
InChI
InChI=1S/C9H15NO/c1-2-9-8(5-6-10-9)4-3-7-11-9/h2,8,10H,1,3-7H2
InChIKey
VXVCIUGXOMUFJI-UHFFFAOYSA-N
Compound name
7a-ethenyl-3,4,4a,5,6,7-hexahydro-2H-pyrano[2,3-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.1
[M+Na]+ 176.104588 139.7
[M-H]- 152.108094 135.4
[M+NH4]+ 171.149193 156.3
[M+K]+ 192.078528 138.0
[M+H-H2O]+ 136.112630 128.7
[M+HCOO]- 198.113571 150.2
[M+CH3COO]- 212.129221 146.1
[M+Na-2H]- 174.090036 140.2
[M]+ 153.11482142 128.0
[M]- 153.11591858 128.0
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.