CID 146048996

Rac-(1r,5r)-bicyclo[3.1.0]hexane-1-carbaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
C1C[C@@H]2C[C@@]2(C1)C=O
InChI
InChI=1S/C7H10O/c8-5-7-3-1-2-6(7)4-7/h5-6H,1-4H2/t6-,7+/m1/s1
InChIKey
OCKUKGINJJSJHU-RQJHMYQMSA-N
Compound name
(1R,5R)-bicyclo[3.1.0]hexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 123.4
[M+Na]+ 133.062384 133.6
[M-H]- 109.065890 128.9
[M+NH4]+ 128.106989 145.8
[M+K]+ 149.036324 131.9
[M+H-H2O]+ 93.070426 119.2
[M+HCOO]- 155.071367 146.1
[M+CH3COO]- 169.087017 170.9
[M+Na-2H]- 131.047832 131.2
[M]+ 110.07261742 125.2
[M]- 110.07371458 125.2
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.