CID 13737608

108132-34-9

Structural Information

Molecular Formula
C16H17NO
SMILES
C1CC2=C(C=CC(=C2)C(C3=CC=CC=C3)N)OC1
InChI
InChI=1S/C16H17NO/c17-16(12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15/h1-3,5-6,8-9,11,16H,4,7,10,17H2
InChIKey
QCZBIUHQGHMDRA-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-6-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 154.1
[M+Na]+ 262.12023 159.2
[M-H]- 238.12373 161.0
[M+NH4]+ 257.16483 170.3
[M+K]+ 278.09417 156.0
[M+H-H2O]+ 222.12827 146.2
[M+HCOO]- 284.12921 173.4
[M+CH3COO]- 298.14486 165.5
[M+Na-2H]- 260.10568 160.5
[M]+ 239.13046 149.9
[M]- 239.13156 149.9
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.