CID 106735

3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC1C=C(CC(C1C)C=O)C
InChI
InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3
InChIKey
DEMWVPUIZCCHPT-UHFFFAOYSA-N
Compound name
3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1272
Patents

152.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 131.4
[M+Na]+ 175.109338 139.5
[M-H]- 151.112844 135.3
[M+NH4]+ 170.153943 153.4
[M+K]+ 191.083278 137.9
[M+H-H2O]+ 135.117380 126.6
[M+HCOO]- 197.118321 153.2
[M+CH3COO]- 211.133971 179.7
[M+Na-2H]- 173.094786 135.3
[M]+ 152.11957142 130.7
[M]- 152.12066858 130.7
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