CID 167722699

2-(methoxymethyl)-2-methyl-3,4-dihydro-2h-1-benzopyran-4-amine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(CC(C2=CC=CC=C2O1)N)COC
InChI
InChI=1S/C12H17NO2/c1-12(8-14-2)7-10(13)9-5-3-4-6-11(9)15-12/h3-6,10H,7-8,13H2,1-2H3
InChIKey
WLTOCAIEQPYITN-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.4
[M+Na]+ 230.11515 153.0
[M-H]- 206.11865 150.1
[M+NH4]+ 225.15975 165.9
[M+K]+ 246.08909 151.9
[M+H-H2O]+ 190.12319 139.6
[M+HCOO]- 252.12413 165.9
[M+CH3COO]- 266.13978 188.6
[M+Na-2H]- 228.10060 153.2
[M]+ 207.12538 145.2
[M]- 207.12648 145.2
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.