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

0
Patents

205.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.4
[M+Na]+ 228.13589 154.4
[M-H]- 204.13939 152.0
[M+NH4]+ 223.18049 168.0
[M+K]+ 244.10983 153.0
[M+H-H2O]+ 188.14393 141.8
[M+HCOO]- 250.14487 166.3
[M+CH3COO]- 264.16052 190.4
[M+Na-2H]- 226.12134 153.3
[M]+ 205.14612 145.4
[M]- 205.14722 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.