CID 165671427

3-(2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-6-yl)azetidin-3-ol

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1(CCC2=C(O1)C=CC(=C2)C3(CNC3)O)C
InChI
InChI=1S/C14H19NO2/c1-13(2)6-5-10-7-11(3-4-12(10)17-13)14(16)8-15-9-14/h3-4,7,15-16H,5-6,8-9H2,1-2H3
InChIKey
BVPYIWDLEJMTAD-UHFFFAOYSA-N
Compound name
3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.9
[M+Na]+ 256.13081 159.2
[M-H]- 232.13431 157.0
[M+NH4]+ 251.17541 165.5
[M+K]+ 272.10475 159.4
[M+H-H2O]+ 216.13885 142.2
[M+HCOO]- 278.13979 166.5
[M+CH3COO]- 292.15544 189.3
[M+Na-2H]- 254.11626 159.7
[M]+ 233.14104 158.3
[M]- 233.14214 158.3
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.