CID 136319

Chroman

Structural Information

Molecular Formula
C9H10O
SMILES
C1CC2=CC=CC=C2OC1
InChI
InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2
InChIKey
VZWXIQHBIQLMPN-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

145
References

71858
Patents

134.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 123.3
[M+Na]+ 157.06239 130.2
[M-H]- 133.06589 128.1
[M+NH4]+ 152.10699 144.7
[M+K]+ 173.03633 129.5
[M+H-H2O]+ 117.07043 117.7
[M+HCOO]- 179.07137 144.3
[M+CH3COO]- 193.08702 137.5
[M+Na-2H]- 155.04784 133.8
[M]+ 134.07262 121.1
[M]- 134.07372 121.1
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.