CID 124709724

2109515-81-1

Structural Information

Molecular Formula
C11H19NO
SMILES
C1C[C@H]2[C@@H](C1)NCC23CCOCC3
InChI
InChI=1S/C11H19NO/c1-2-9-10(3-1)12-8-11(9)4-6-13-7-5-11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
NXWWNEIARFFJNF-VHSXEESVSA-N
Compound name
(3aR,6aR)-spiro[2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3,4'-oxane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 143.2
[M+Na]+ 204.13589 147.5
[M-H]- 180.13939 146.3
[M+NH4]+ 199.18049 166.1
[M+K]+ 220.10983 145.5
[M+H-H2O]+ 164.14393 137.3
[M+HCOO]- 226.14487 157.7
[M+CH3COO]- 240.16052 154.4
[M+Na-2H]- 202.12134 145.9
[M]+ 181.14612 134.6
[M]- 181.14722 134.6
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.