CID 66745308

2094153-64-5

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1COCCC12CC(C3=CC=CC=C3O2)N
InChI
InChI=1S/C13H17NO2/c14-11-9-13(5-7-15-8-6-13)16-12-4-2-1-3-10(11)12/h1-4,11H,5-9,14H2
InChIKey
OTXULXLQTUIVQV-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

219.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 147.7
[M+Na]+ 242.11515 153.1
[M-H]- 218.11865 154.2
[M+NH4]+ 237.15975 165.9
[M+K]+ 258.08909 152.3
[M+H-H2O]+ 202.12319 140.6
[M+HCOO]- 264.12413 164.0
[M+CH3COO]- 278.13978 159.4
[M+Na-2H]- 240.10060 156.2
[M]+ 219.12538 142.0
[M]- 219.12648 142.0
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

patents stripe