CID 97102720

[(3s)-3,4-dihydro-1h-2-benzopyran-3-yl]methanamine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1[C@H](OCC2=CC=CC=C21)CN
InChI
InChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2/t10-/m0/s1
InChIKey
MMZKPTNDPNDNKS-JTQLQIEISA-N
Compound name
[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.5
[M+Na]+ 186.08894 146.2
[M+NH4]+ 181.13354 143.5
[M+K]+ 202.06288 139.3
[M-H]- 162.09244 138.7
[M+Na-2H]- 184.07439 139.9
[M]+ 163.09917 136.7
[M]- 163.10027 136.7
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.