CID 20289364

2,2,3,3-tetramethylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(C(C1(C)C)C=O)C
InChI
InChI=1S/C8H14O/c1-7(2)6(5-9)8(7,3)4/h5-6H,1-4H3
InChIKey
IQBFNXYAKGOFOB-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 124.6
[M+Na]+ 149.093678 136.4
[M-H]- 125.097184 130.7
[M+NH4]+ 144.138283 146.6
[M+K]+ 165.067618 136.1
[M+H-H2O]+ 109.101720 122.1
[M+HCOO]- 171.102661 147.7
[M+CH3COO]- 185.118311 178.0
[M+Na-2H]- 147.079126 132.4
[M]+ 126.10391142 130.2
[M]- 126.10500858 130.2
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

patents stripe