CID 216250

3-cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(C(C1)(C)C)C=O
InChI
InChI=1S/C10H16O/c1-8-4-5-9(7-11)10(2,3)6-8/h4,7,9H,5-6H2,1-3H3
InChIKey
PEJDZTZLIFVHJT-UHFFFAOYSA-N
Compound name
4,6,6-trimethylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 131.0
[M+Na]+ 175.10934 139.1
[M-H]- 151.11284 135.0
[M+NH4]+ 170.15394 154.8
[M+K]+ 191.08328 137.7
[M+H-H2O]+ 135.11738 126.8
[M+HCOO]- 197.11832 152.9
[M+CH3COO]- 211.13397 178.1
[M+Na-2H]- 173.09479 136.7
[M]+ 152.11957 130.3
[M]- 152.12067 130.3
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