CID 3161863

174316-27-9

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C1=CC=CO1)NC
InChI
InChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
InChIKey
BNBCJNJOLJAPMQ-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

125.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.4
[M+Na]+ 148.073278 132.4
[M-H]- 124.076784 129.8
[M+NH4]+ 143.117883 147.8
[M+K]+ 164.047218 133.1
[M+H-H2O]+ 108.081320 120.1
[M+HCOO]- 170.082261 150.6
[M+CH3COO]- 184.097911 172.9
[M+Na-2H]- 146.058726 132.4
[M]+ 125.08351142 125.9
[M]- 125.08460858 125.9
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