CID 117299

3,4-dihydro-4-methyl-1h-2-benzopyran

Structural Information

Molecular Formula
C10H12O
SMILES
CC1COCC2=CC=CC=C12
InChI
InChI=1S/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3
InChIKey
KFOXDILMEHCWMS-UHFFFAOYSA-N
Compound name
4-methyl-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

148.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 127.9
[M+Na]+ 171.07804 135.4
[M-H]- 147.08154 132.9
[M+NH4]+ 166.12264 149.1
[M+K]+ 187.05198 134.4
[M+H-H2O]+ 131.08608 122.4
[M+HCOO]- 193.08702 148.6
[M+CH3COO]- 207.10267 142.0
[M+Na-2H]- 169.06349 137.2
[M]+ 148.08827 126.5
[M]- 148.08937 126.5
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