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]+ 125.096086 127.0
[M+Na]+ 147.078028 134.2
[M-H]- 123.081534 131.2
[M+NH4]+ 142.122633 153.7
[M+K]+ 163.051968 132.7
[M+H-H2O]+ 107.086070 122.8
[M+HCOO]- 169.087011 149.2
[M+CH3COO]- 183.102661 169.7
[M+Na-2H]- 145.063476 130.2
[M]+ 124.08826142 123.6
[M]- 124.08935858 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.