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

23
Patents

181.05614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 135.7
[M+Na]+ 204.04536 143.3
[M-H]- 180.04886 140.2
[M+NH4]+ 199.08996 159.0
[M+K]+ 220.01930 140.3
[M+H-H2O]+ 164.05340 130.7
[M+HCOO]- 226.05434 154.4
[M+CH3COO]- 240.06999 180.3
[M+Na-2H]- 202.03081 139.6
[M]+ 181.05559 135.3
[M]- 181.05669 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