CID 3041595

6-methyl-3,4-dihydro-2h-1-benzopyran-3-amine hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC2=C(C=C1)OCC(C2)N
InChI
InChI=1S/C10H13NO/c1-7-2-3-10-8(4-7)5-9(11)6-12-10/h2-4,9H,5-6,11H2,1H3
InChIKey
KNBXYRFCLWTMLM-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.1
[M+Na]+ 186.088938 140.7
[M-H]- 162.092444 137.8
[M+NH4]+ 181.133543 153.4
[M+K]+ 202.062878 139.2
[M+H-H2O]+ 146.096980 127.3
[M+HCOO]- 208.097921 154.1
[M+CH3COO]- 222.113571 180.8
[M+Na-2H]- 184.074386 140.8
[M]+ 163.09917142 130.4
[M]- 163.10026858 130.4
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.