CID 82707055

Methoxy[1-(2-methyl-1,3-thiazol-4-yl)ethyl]amine

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CC1=NC(=CS1)C(C)NOC
InChI
InChI=1S/C7H12N2OS/c1-5(9-10-3)7-4-11-6(2)8-7/h4-5,9H,1-3H3
InChIKey
SJHQWTVXXDOONU-UHFFFAOYSA-N
Compound name
N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 135.5
[M+Na]+ 195.056248 143.8
[M-H]- 171.059754 138.4
[M+NH4]+ 190.100853 156.9
[M+K]+ 211.030188 142.5
[M+H-H2O]+ 155.064290 129.3
[M+HCOO]- 217.065231 155.0
[M+CH3COO]- 231.080881 180.6
[M+Na-2H]- 193.041696 137.4
[M]+ 172.06648142 138.6
[M]- 172.06757858 138.6
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.