CID 19710902

Bicyclo[2.1.1]hexane-1-carbaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC2(CC1C2)C=O
InChI
InChI=1S/C7H10O/c8-5-7-2-1-6(3-7)4-7/h5-6H,1-4H2
InChIKey
BFNCOQPLXRBAAW-UHFFFAOYSA-N
Compound name
bicyclo[2.1.1]hexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 126.5
[M+Na]+ 133.06238 133.6
[M-H]- 109.06589 128.2
[M+NH4]+ 128.10699 151.8
[M+K]+ 149.03632 134.5
[M+H-H2O]+ 93.070426 120.6
[M+HCOO]- 155.07137 146.0
[M+CH3COO]- 169.08702 173.7
[M+Na-2H]- 131.04783 135.4
[M]+ 110.07262 138.6
[M]- 110.07371 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe