CID 10931390

Cyclohex-2-enecarbaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC=CC(C1)C=O
InChI
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h2,4,6-7H,1,3,5H2
InChIKey
XPCJYQUUKUVAMI-UHFFFAOYSA-N
Compound name
cyclohex-2-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2124
Patents

110.073166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.1
[M+Na]+ 133.06238 126.6
[M-H]- 109.06589 123.4
[M+NH4]+ 128.10699 142.8
[M+K]+ 149.03632 125.7
[M+H-H2O]+ 93.070426 115.1
[M+HCOO]- 155.07137 142.9
[M+CH3COO]- 169.08702 167.2
[M+Na-2H]- 131.04783 127.5
[M]+ 110.07262 117.2
[M]- 110.07371 117.2
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