CID 84906

Einecs 279-686-0

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN(C)CC1=CC=C(O1)CO
InChI
InChI=1S/C8H13NO2/c1-9(2)5-7-3-4-8(6-10)11-7/h3-4,10H,5-6H2,1-2H3
InChIKey
BQRQOLQFLNSWNV-UHFFFAOYSA-N
Compound name
[5-[(dimethylamino)methyl]furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

155.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.7
[M+Na]+ 178.08386 140.2
[M-H]- 154.08736 137.3
[M+NH4]+ 173.12846 154.1
[M+K]+ 194.05780 141.0
[M+H-H2O]+ 138.09190 127.2
[M+HCOO]- 200.09284 157.8
[M+CH3COO]- 214.10849 179.1
[M+Na-2H]- 176.06931 138.4
[M]+ 155.09409 135.3
[M]- 155.09519 135.3
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