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]+ 195.05867 138.6
[M+Na]+ 217.04061 150.2
[M-H]- 193.04411 146.1
[M+NH4]+ 212.08521 159.8
[M+K]+ 233.01455 148.1
[M+H-H2O]+ 177.04865 132.9
[M+HCOO]- 239.04959 161.2
[M+CH3COO]- 253.06524 153.8
[M+Na-2H]- 215.02606 140.7
[M]+ 194.05084 143.1
[M]- 194.05194 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.