CID 126736901

1-bromocyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CCC(C1)(C=O)Br
InChI
InChI=1S/C6H9BrO/c7-6(5-8)3-1-2-4-6/h5H,1-4H2
InChIKey
WVHFAARGBKHLQW-UHFFFAOYSA-N
Compound name
1-bromocyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

175.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 131.1
[M+Na]+ 198.97289 142.4
[M-H]- 174.97639 137.4
[M+NH4]+ 194.01749 158.2
[M+K]+ 214.94683 132.8
[M+H-H2O]+ 158.98093 133.1
[M+HCOO]- 220.98187 152.5
[M+CH3COO]- 234.99752 175.1
[M+Na-2H]- 196.95834 138.7
[M]+ 175.98312 147.6
[M]- 175.98422 147.6
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