CID 61124

2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde

Structural Information

Molecular Formula
C11H18O
SMILES
CC1=C(C(CCC1)(C)C)CC=O
InChI
InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
InChIKey
VHTFHZGAMYUZEP-UHFFFAOYSA-N
Compound name
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1650
Patents

166.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 135.6
[M+Na]+ 189.12499 143.2
[M-H]- 165.12849 139.4
[M+NH4]+ 184.16959 158.8
[M+K]+ 205.09893 141.6
[M+H-H2O]+ 149.13303 131.3
[M+HCOO]- 211.13397 157.1
[M+CH3COO]- 225.14962 181.1
[M+Na-2H]- 187.11044 140.8
[M]+ 166.13522 135.3
[M]- 166.13632 135.3
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