CID 24277525

1-(2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-6-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C1=CC2=C(C=C1)OC(CC2)(C)C)N
InChI
InChI=1S/C13H19NO/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-5,8-9H,6-7,14H2,1-3H3
InChIKey
NXUPNYBPMJGZJA-UHFFFAOYSA-N
Compound name
1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.4
[M+Na]+ 228.135888 154.4
[M-H]- 204.139394 152.0
[M+NH4]+ 223.180493 168.0
[M+K]+ 244.109828 153.0
[M+H-H2O]+ 188.143930 141.8
[M+HCOO]- 250.144871 166.3
[M+CH3COO]- 264.160521 190.4
[M+Na-2H]- 226.121336 153.3
[M]+ 205.14612142 145.4
[M]- 205.14721858 145.4
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.