CID 11469073

32405-37-1

Structural Information

Molecular Formula
C8H12O
SMILES
C1C[C@H]2CCC(=O)[C@H]2C1
InChI
InChI=1S/C8H12O/c9-8-5-4-6-2-1-3-7(6)8/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKey
NZTVVUIIJPWANB-BQBZGAKWSA-N
Compound name
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 127.0
[M+Na]+ 147.07803 134.2
[M-H]- 123.08153 131.2
[M+NH4]+ 142.12263 153.7
[M+K]+ 163.05197 132.7
[M+H-H2O]+ 107.08607 122.8
[M+HCOO]- 169.08701 149.2
[M+CH3COO]- 183.10266 169.7
[M+Na-2H]- 145.06348 130.2
[M]+ 124.08826 123.6
[M]- 124.08936 123.6
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.