CID 93944

Formamide, n-(4,5,6,7-tetrahydrobenzo[b]thien-4-yl)-

Structural Information

Molecular Formula
C9H11NOS
SMILES
C1CC(C2=C(C1)SC=C2)NC=O
InChI
InChI=1S/C9H11NOS/c11-6-10-8-2-1-3-9-7(8)4-5-12-9/h4-6,8H,1-3H2,(H,10,11)
InChIKey
SJFXHSBXVOAPJM-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

181.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 135.7
[M+Na]+ 204.045358 143.3
[M-H]- 180.048864 140.2
[M+NH4]+ 199.089963 159.0
[M+K]+ 220.019298 140.3
[M+H-H2O]+ 164.053400 130.7
[M+HCOO]- 226.054341 154.4
[M+CH3COO]- 240.069991 180.3
[M+Na-2H]- 202.030806 139.6
[M]+ 181.05559142 135.3
[M]- 181.05668858 135.3
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