CID 125180924

2172270-22-1

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CC2(C1)CN[C@H]3[C@@H]2COC3
InChI
InChI=1S/C9H15NO/c1-2-9(3-1)6-10-8-5-11-4-7(8)9/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChIKey
HSHQTJIPOQZBLR-JGVFFNPUSA-N
Compound name
(3aR,6aS)-spiro[1,2,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-3,1'-cyclobutane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 126.7
[M+Na]+ 176.104588 131.7
[M-H]- 152.108094 130.9
[M+NH4]+ 171.149193 144.6
[M+K]+ 192.078528 133.2
[M+H-H2O]+ 136.112630 118.0
[M+HCOO]- 198.113571 143.3
[M+CH3COO]- 212.129221 139.3
[M+Na-2H]- 174.090036 131.7
[M]+ 153.11482142 130.3
[M]- 153.11591858 130.3
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.