CID 86640

17937-03-0

Structural Information

Molecular Formula
C12H16O
SMILES
CC1CC(OC2=CC=CC=C12)(C)C
InChI
InChI=1S/C12H16O/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3
InChIKey
RZWKXCCZVCZJOU-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-3,4-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

176.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 136.7
[M+Na]+ 199.109338 145.2
[M-H]- 175.112844 142.2
[M+NH4]+ 194.153943 159.2
[M+K]+ 215.083278 144.1
[M+H-H2O]+ 159.117380 131.5
[M+HCOO]- 221.118321 156.7
[M+CH3COO]- 235.133971 182.2
[M+Na-2H]- 197.094786 145.2
[M]+ 176.11957142 136.7
[M]- 176.12066858 136.7
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