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

70088
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

literature stripe

Patent stripe

patents stripe