CID 42220748

2193051-85-1

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=CC(=C2C(=C1)[C@@H](CCO2)N)C
InChI
InChI=1S/C11H15NO/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6,10H,3-4,12H2,1-2H3/t10-/m1/s1
InChIKey
KMICWNIEVDQIJO-SNVBAGLBSA-N
Compound name
(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.9
[M+Na]+ 200.10459 146.1
[M-H]- 176.10809 142.9
[M+NH4]+ 195.14919 158.0
[M+K]+ 216.07853 144.4
[M+H-H2O]+ 160.11263 132.2
[M+HCOO]- 222.11357 158.6
[M+CH3COO]- 236.12922 185.1
[M+Na-2H]- 198.09004 144.4
[M]+ 177.11482 136.0
[M]- 177.11592 136.0
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.