CID 60220

2h-1-benzopyran-6-methylamine, 3,4-dihydro-alpha-benzyl-, hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3
InChI
InChI=1S/C17H19NO/c1-18(13-14-6-3-2-4-7-14)16-9-10-17-15(12-16)8-5-11-19-17/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKey
HDCYLARWSZXAGY-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-3,4-dihydro-2H-chromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 158.2
[M+Na]+ 276.13589 163.1
[M-H]- 252.13939 166.8
[M+NH4]+ 271.18049 174.7
[M+K]+ 292.10983 161.0
[M+H-H2O]+ 236.14393 149.6
[M+HCOO]- 298.14487 179.3
[M+CH3COO]- 312.16052 170.0
[M+Na-2H]- 274.12134 165.4
[M]+ 253.14612 157.0
[M]- 253.14722 157.0
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.