CID 10607220

46049-91-6

Structural Information

Molecular Formula
C9H12FNO
SMILES
CN(C)CC1=C(C=CC(=C1)F)O
InChI
InChI=1S/C9H12FNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3
InChIKey
NEGVGBPSCVOSAI-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

169.09029 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.4
[M+Na]+ 192.07951 141.7
[M-H]- 168.08301 136.4
[M+NH4]+ 187.12411 154.1
[M+K]+ 208.05345 140.3
[M+H-H2O]+ 152.08755 126.9
[M+HCOO]- 214.08849 157.2
[M+CH3COO]- 228.10414 184.0
[M+Na-2H]- 190.06496 138.7
[M]+ 169.08974 133.0
[M]- 169.09084 133.0
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