CID 5364932

Thiofanocarb

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(C)(C)/C(=N\OC(=O)NC)/CSC
InChI
InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-
InChIKey
FZSVSABTBYGOQH-XFFZJAGNSA-N
Compound name
[(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9
References

13665
Patents

218.1089 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 151.7
[M+Na]+ 241.09812 156.9
[M-H]- 217.10162 153.2
[M+NH4]+ 236.14272 171.0
[M+K]+ 257.07206 156.5
[M+H-H2O]+ 201.10616 145.7
[M+HCOO]- 263.10710 169.7
[M+CH3COO]- 277.12275 193.8
[M+Na-2H]- 239.08357 153.4
[M]+ 218.10835 155.7
[M]- 218.10945 155.7
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