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]+ 154.12265 126.7
[M+Na]+ 176.10459 131.7
[M-H]- 152.10809 130.9
[M+NH4]+ 171.14919 144.6
[M+K]+ 192.07853 133.2
[M+H-H2O]+ 136.11263 118.0
[M+HCOO]- 198.11357 143.3
[M+CH3COO]- 212.12922 139.3
[M+Na-2H]- 174.09004 131.7
[M]+ 153.11482 130.3
[M]- 153.11592 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.