CID 3068349

6-aminomethyl-6h-dibenzo(b,d)pyran

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C2C(=C1)C(OC3=CC=CC=C23)CN
InChI
InChI=1S/C14H13NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H,9,15H2
InChIKey
BHRGBYWGRLOFNP-UHFFFAOYSA-N
Compound name
6H-benzo[c]chromen-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 143.7
[M+Na]+ 234.088938 152.0
[M-H]- 210.092444 149.3
[M+NH4]+ 229.133543 162.9
[M+K]+ 250.062878 148.6
[M+H-H2O]+ 194.096980 136.9
[M+HCOO]- 256.097921 164.6
[M+CH3COO]- 270.113571 156.7
[M+Na-2H]- 232.074386 153.4
[M]+ 211.09917142 142.6
[M]- 211.10026858 142.6
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

patents stripe