CID 3042845

Carbamic acid, dimethyl-, (2-methyl-5-thiazolyl)methyl ester, monohydrochloride

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC1=NC=C(S1)COC(=O)N(C)C
InChI
InChI=1S/C8H12N2O2S/c1-6-9-4-7(13-6)5-12-8(11)10(2)3/h4H,5H2,1-3H3
InChIKey
BZTCOMLSCCRBER-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 143.0
[M+Na]+ 223.051168 151.4
[M-H]- 199.054674 147.5
[M+NH4]+ 218.095773 164.0
[M+K]+ 239.025108 151.1
[M+H-H2O]+ 183.059210 136.5
[M+HCOO]- 245.060151 163.2
[M+CH3COO]- 259.075801 186.9
[M+Na-2H]- 221.036616 143.9
[M]+ 200.06140142 148.4
[M]- 200.06249858 148.4
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

patents stripe