CID 11052453

1-bromocyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1CCC(CC1)(C=O)Br
InChI
InChI=1S/C7H11BrO/c8-7(6-9)4-2-1-3-5-7/h6H,1-5H2
InChIKey
CDOJHTBRMAVYQB-UHFFFAOYSA-N
Compound name
1-bromocyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 133.0
[M+Na]+ 212.98855 142.7
[M-H]- 188.99205 138.8
[M+NH4]+ 208.03315 157.7
[M+K]+ 228.96249 133.0
[M+H-H2O]+ 172.99659 134.6
[M+HCOO]- 234.99753 152.0
[M+CH3COO]- 249.01318 178.1
[M+Na-2H]- 210.97400 141.4
[M]+ 189.99878 147.9
[M]- 189.99988 147.9
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