CID 61808

2-isopropyl-4-methylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=CSC(=N1)C(C)C
InChI
InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3
InChIKey
OFLXNHNYPQPQKW-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

1548
Patents

141.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.7
[M+Na]+ 164.050438 137.2
[M-H]- 140.053944 130.9
[M+NH4]+ 159.095043 150.9
[M+K]+ 180.024378 135.8
[M+H-H2O]+ 124.058480 122.3
[M+HCOO]- 186.059421 146.1
[M+CH3COO]- 200.075071 174.0
[M+Na-2H]- 162.035886 129.2
[M]+ 141.06067142 130.3
[M]- 141.06176858 130.3
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