CID 57128092

Schembl21643529

Structural Information

Molecular Formula
C10H16O
SMILES
CC1C(C(=CCC1C=O)C)C
InChI
InChI=1S/C10H16O/c1-7-4-5-10(6-11)9(3)8(7)2/h4,6,8-10H,5H2,1-3H3
InChIKey
WOWFVHVOZAVABO-UHFFFAOYSA-N
Compound name
4,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
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