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]+ 111.08044 123.4
[M+Na]+ 133.06238 133.6
[M-H]- 109.06589 128.9
[M+NH4]+ 128.10699 145.8
[M+K]+ 149.03632 131.9
[M+H-H2O]+ 93.070426 119.2
[M+HCOO]- 155.07137 146.1
[M+CH3COO]- 169.08702 170.9
[M+Na-2H]- 131.04783 131.2
[M]+ 110.07262 125.2
[M]- 110.07371 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.