CID 12943544

4-(3,4-dihydro-1h-2-benzopyran-1-yl)aniline

Structural Information

Molecular Formula
C15H15NO
SMILES
C1COC(C2=CC=CC=C21)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H15NO/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-8,15H,9-10,16H2
InChIKey
MULCWBNXWABNJA-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isochromen-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 149.3
[M+Na]+ 248.10459 156.1
[M-H]- 224.10809 156.8
[M+NH4]+ 243.14919 166.5
[M+K]+ 264.07853 152.8
[M+H-H2O]+ 208.11263 141.7
[M+HCOO]- 270.11357 170.1
[M+CH3COO]- 284.12922 161.7
[M+Na-2H]- 246.09004 156.8
[M]+ 225.11482 145.8
[M]- 225.11592 145.8
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.