CID 3068812

4-(3,4-dihydro-2h-1-benzopyran-3-yl)morpholine

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1COCCN1C2CC3=CC=CC=C3OC2
InChI
InChI=1S/C13H17NO2/c1-2-4-13-11(3-1)9-12(10-16-13)14-5-7-15-8-6-14/h1-4,12H,5-10H2
InChIKey
KCUOCZMIUOXXQT-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-2H-chromen-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.1
[M+Na]+ 242.11515 152.5
[M-H]- 218.11865 154.0
[M+NH4]+ 237.15975 162.7
[M+K]+ 258.08909 152.0
[M+H-H2O]+ 202.12319 139.5
[M+HCOO]- 264.12413 162.6
[M+CH3COO]- 278.13978 159.1
[M+Na-2H]- 240.10060 155.3
[M]+ 219.12538 143.2
[M]- 219.12648 143.2
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.