CID 1838020

(2-((dimethylamino)methyl)thiazol-4-yl)methanol

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CN(C)CC1=NC(=CS1)CO
InChI
InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3
InChIKey
BIEFSXASVIQOOS-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

172.06703 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe