CID 200811

2752-74-1

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC1=CC(=C(C=C1SC#N)C(C)C)OC(=O)NC
InChI
InChI=1S/C13H16N2O2S/c1-8(2)10-6-12(18-7-14)9(3)5-11(10)17-13(16)15-4/h5-6,8H,1-4H3,(H,15,16)
InChIKey
GNYHCEKOFBASFJ-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-yl-4-thiocyanatophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 155.3
[M+Na]+ 287.08248 165.3
[M+NH4]+ 282.12708 159.2
[M+K]+ 303.05642 155.7
[M-H]- 263.08598 149.9
[M+Na-2H]- 285.06793 157.3
[M]+ 264.09271 154.7
[M]- 264.09381 154.7
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.