CID 2416532

Methyl[(5-methylfuran-2-yl)methyl]amine

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=CC=C(O1)CNC
InChI
InChI=1S/C7H11NO/c1-6-3-4-7(9-6)5-8-2/h3-4,8H,5H2,1-2H3
InChIKey
GHATXKUOUZLMGN-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
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 124.0
[M+Na]+ 148.073278 132.3
[M-H]- 124.076784 128.7
[M+NH4]+ 143.117883 146.8
[M+K]+ 164.047218 132.4
[M+H-H2O]+ 108.081320 118.9
[M+HCOO]- 170.082261 150.2
[M+CH3COO]- 184.097911 173.2
[M+Na-2H]- 146.058726 131.6
[M]+ 125.08351142 125.5
[M]- 125.08460858 125.5
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