CID 130025301

1-bromo-2,2-dimethylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H9BrO
SMILES
CC1(CC1(C=O)Br)C
InChI
InChI=1S/C6H9BrO/c1-5(2)3-6(5,7)4-8/h4H,3H2,1-2H3
InChIKey
KRUTWRIULXRMPC-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 124.8
[M+Na]+ 198.97289 129.2
[M+NH4]+ 194.01749 133.1
[M+K]+ 214.94683 128.0
[M-H]- 174.97639 131.0
[M+Na-2H]- 196.95834 132.8
[M]+ 175.98312 127.4
[M]- 175.98422 127.4
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.