CID 38621

1,3,4-trimethyl-3-cyclohexen-1-carboxaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=C(CC(CC1)(C)C=O)C
InChI
InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3
InChIKey
HPPUQZZCHCEJEW-UHFFFAOYSA-N
Compound name
1,3,4-trimethylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

152.12012 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 131.0
[M+Na]+ 175.109338 139.1
[M-H]- 151.112844 135.0
[M+NH4]+ 170.153943 154.8
[M+K]+ 191.083278 137.7
[M+H-H2O]+ 135.117380 126.8
[M+HCOO]- 197.118321 152.9
[M+CH3COO]- 211.133971 178.1
[M+Na-2H]- 173.094786 136.7
[M]+ 152.11957142 130.3
[M]- 152.12066858 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

literature stripe

Patent stripe

patents stripe