CID 7131884

[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=NC(=CS1)C2=CC=C(O2)CN
InChI
InChI=1S/C9H10N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h2-3,5H,4,10H2,1H3
InChIKey
KYUQAHJPQLLHQR-UHFFFAOYSA-N
Compound name
[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 138.6
[M+Na]+ 217.040608 150.2
[M-H]- 193.044114 146.1
[M+NH4]+ 212.085213 159.8
[M+K]+ 233.014548 148.1
[M+H-H2O]+ 177.048650 132.9
[M+HCOO]- 239.049591 161.2
[M+CH3COO]- 253.065241 153.8
[M+Na-2H]- 215.026056 140.7
[M]+ 194.05084142 143.1
[M]- 194.05193858 143.1
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

No patent data available for this compound.