CID 124202117

4-(1-methylethyl)-1-cyclohexene-4-carboxaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C1(CCC=CC1)C=O
InChI
InChI=1S/C10H16O/c1-9(2)10(8-11)6-4-3-5-7-10/h3-4,8-9H,5-7H2,1-2H3
InChIKey
HSRWOAPOKHRLIT-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.9
[M+Na]+ 175.10934 139.7
[M-H]- 151.11284 137.1
[M+NH4]+ 170.15394 156.9
[M+K]+ 191.08328 138.8
[M+H-H2O]+ 135.11738 129.2
[M+HCOO]- 197.11832 154.7
[M+CH3COO]- 211.13397 176.7
[M+Na-2H]- 173.09479 139.5
[M]+ 152.11957 131.7
[M]- 152.12067 131.7
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