CID 71755476

2-[2-(1-methoxyethyl)-1,3-thiazol-4-yl]acetonitrile

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CC(C1=NC(=CS1)CC#N)OC
InChI
InChI=1S/C8H10N2OS/c1-6(11-2)8-10-7(3-4-9)5-12-8/h5-6H,3H2,1-2H3
InChIKey
NUCJKUWZYVTZIU-UHFFFAOYSA-N
Compound name
2-[2-(1-methoxyethyl)-1,3-thiazol-4-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 140.2
[M+Na]+ 205.040608 150.9
[M-H]- 181.044114 143.1
[M+NH4]+ 200.085213 159.4
[M+K]+ 221.014548 149.2
[M+H-H2O]+ 165.048650 127.4
[M+HCOO]- 227.049591 155.2
[M+CH3COO]- 241.065241 192.4
[M+Na-2H]- 203.026056 141.3
[M]+ 182.05084142 139.0
[M]- 182.05193858 139.0
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.