CID 316763

4,4-dimethylchroman

Structural Information

Molecular Formula
C11H14O
SMILES
CC1(CCOC2=CC=CC=C21)C
InChI
InChI=1S/C11H14O/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKey
IZOJLZIGCQKKKH-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

162.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 132.7
[M+Na]+ 185.09368 140.7
[M-H]- 161.09718 138.0
[M+NH4]+ 180.13828 155.5
[M+K]+ 201.06762 139.8
[M+H-H2O]+ 145.10172 127.4
[M+HCOO]- 207.10266 153.1
[M+CH3COO]- 221.11831 178.1
[M+Na-2H]- 183.07913 142.4
[M]+ 162.10391 132.0
[M]- 162.10501 132.0
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