CID 55266520

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

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC1=C(C=C(O1)CCCN)C(=O)OC
InChI
InChI=1S/C10H15NO3/c1-7-9(10(12)13-2)6-8(14-7)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKey
ZJPBUZKZQLJUBG-UHFFFAOYSA-N
Compound name
methyl 5-(3-aminopropyl)-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 144.0
[M+Na]+ 220.09442 151.8
[M-H]- 196.09792 148.1
[M+NH4]+ 215.13902 163.7
[M+K]+ 236.06836 151.7
[M+H-H2O]+ 180.10246 138.3
[M+HCOO]- 242.10340 168.2
[M+CH3COO]- 256.11905 186.3
[M+Na-2H]- 218.07987 147.0
[M]+ 197.10465 147.4
[M]- 197.10575 147.4
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

No patent data available for this compound.