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]+ 183.05867 140.2
[M+Na]+ 205.04061 150.9
[M-H]- 181.04411 143.1
[M+NH4]+ 200.08521 159.4
[M+K]+ 221.01455 149.2
[M+H-H2O]+ 165.04865 127.4
[M+HCOO]- 227.04959 155.2
[M+CH3COO]- 241.06524 192.4
[M+Na-2H]- 203.02606 141.3
[M]+ 182.05084 139.0
[M]- 182.05194 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.