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

15
Patents

219.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 147.7
[M+Na]+ 242.115148 153.1
[M-H]- 218.118654 154.2
[M+NH4]+ 237.159753 165.9
[M+K]+ 258.089088 152.3
[M+H-H2O]+ 202.123190 140.6
[M+HCOO]- 264.124131 164.0
[M+CH3COO]- 278.139781 159.4
[M+Na-2H]- 240.100596 156.2
[M]+ 219.12538142 142.0
[M]- 219.12647858 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