CID 86767860

Spiro[2.3]hexane-5-carbaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC12CC(C2)C=O
InChI
InChI=1S/C7H10O/c8-5-6-3-7(4-6)1-2-7/h5-6H,1-4H2
InChIKey
QVRHIHYYNIOOAJ-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 119.5
[M+Na]+ 133.06238 128.4
[M-H]- 109.06589 126.7
[M+NH4]+ 128.10699 133.8
[M+K]+ 149.03632 130.2
[M+H-H2O]+ 93.070426 111.0
[M+HCOO]- 155.07137 141.8
[M+CH3COO]- 169.08702 175.2
[M+Na-2H]- 131.04783 128.1
[M]+ 110.07262 129.6
[M]- 110.07371 129.6
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

patents stripe