CID 3022309

93777-71-0

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1(CC(C2=C1C=C(C(=C2)O)C=O)(C)C)C
InChI
InChI=1S/C14H18O2/c1-13(2)8-14(3,4)11-6-12(16)9(7-15)5-10(11)13/h5-7,16H,8H2,1-4H3
InChIKey
OUSUWJXYCHHCFC-UHFFFAOYSA-N
Compound name
6-hydroxy-1,1,3,3-tetramethyl-2H-indene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 145.7
[M+Na]+ 241.11990 156.9
[M-H]- 217.12340 150.2
[M+NH4]+ 236.16450 171.5
[M+K]+ 257.09384 153.1
[M+H-H2O]+ 201.12794 142.5
[M+HCOO]- 263.12888 167.0
[M+CH3COO]- 277.14453 188.6
[M+Na-2H]- 239.10535 150.7
[M]+ 218.13013 148.2
[M]- 218.13123 148.2
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

No patent data available for this compound.