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]+ 201.06923 143.0
[M+Na]+ 223.05117 151.4
[M-H]- 199.05467 147.5
[M+NH4]+ 218.09577 164.0
[M+K]+ 239.02511 151.1
[M+H-H2O]+ 183.05921 136.5
[M+HCOO]- 245.06015 163.2
[M+CH3COO]- 259.07580 186.9
[M+Na-2H]- 221.03662 143.9
[M]+ 200.06140 148.4
[M]- 200.06250 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