CID 200740

Brn 2108515

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CNC(=O)OC1=CC=C(C=C1)SC#N
InChI
InChI=1S/C9H8N2O2S/c1-11-9(12)13-7-2-4-8(5-3-7)14-6-10/h2-5H,1H3,(H,11,12)
InChIKey
KMAYYXLXLJQEMB-UHFFFAOYSA-N
Compound name
(4-thiocyanatophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 148.6
[M+Na]+ 231.01987 158.2
[M-H]- 207.02337 152.6
[M+NH4]+ 226.06447 165.9
[M+K]+ 246.99381 155.8
[M+H-H2O]+ 191.02791 135.9
[M+HCOO]- 253.02885 164.9
[M+CH3COO]- 267.04450 196.9
[M+Na-2H]- 229.00532 151.5
[M]+ 208.03010 146.2
[M]- 208.03120 146.2
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.