CID 13226739

4729-39-9

Structural Information

Molecular Formula
C7H10O
SMILES
C1C[C@@H]2[C@H](C1)C2C=O
InChI
InChI=1S/C7H10O/c8-4-7-5-2-1-3-6(5)7/h4-7H,1-3H2/t5-,6+,7?
InChIKey
RKDTXYVPCLFNJD-MEKDEQNOSA-N
Compound name
(1R,5S)-bicyclo[3.1.0]hexane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 121.7
[M+Na]+ 133.062384 132.1
[M-H]- 109.065890 127.2
[M+NH4]+ 128.106989 142.5
[M+K]+ 149.036324 129.5
[M+H-H2O]+ 93.070426 116.9
[M+HCOO]- 155.071367 144.7
[M+CH3COO]- 169.087017 172.4
[M+Na-2H]- 131.047832 128.0
[M]+ 110.07261742 123.6
[M]- 110.07371458 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.