CID 82599542

2-(3,4-dihydro-2h-1-benzopyran-7-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CC2=C(C=C(C=C2)CCN)OC1
InChI
InChI=1S/C11H15NO/c12-6-5-9-3-4-10-2-1-7-13-11(10)8-9/h3-4,8H,1-2,5-7,12H2
InChIKey
CLTWDSCHZOWQGB-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-chromen-7-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.5
[M+Na]+ 200.10459 143.7
[M-H]- 176.10809 141.7
[M+NH4]+ 195.14919 156.9
[M+K]+ 216.07853 142.0
[M+H-H2O]+ 160.11263 131.3
[M+HCOO]- 222.11357 158.2
[M+CH3COO]- 236.12922 182.7
[M+Na-2H]- 198.09004 145.5
[M]+ 177.11482 134.8
[M]- 177.11592 134.8
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.