CID 25312740

Methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=C(C=C(O1)CN)C(=O)OC
InChI
InChI=1S/C8H11NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,4,9H2,1-2H3
InChIKey
WZLNLXYHVWNQAY-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 134.4
[M+Na]+ 192.063118 143.1
[M-H]- 168.066624 139.0
[M+NH4]+ 187.107723 155.3
[M+K]+ 208.037058 143.5
[M+H-H2O]+ 152.071160 129.2
[M+HCOO]- 214.072101 159.3
[M+CH3COO]- 228.087751 180.2
[M+Na-2H]- 190.048566 138.5
[M]+ 169.07335142 137.1
[M]- 169.07444858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe