CID 2736124

2,3-dihydrobenzo[b]furan-5-carbonitrile

Structural Information

Molecular Formula
C9H7NO
SMILES
C1COC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C9H7NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4H2
InChIKey
QHTVULDSSWHXKV-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

145.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 128.0
[M+Na]+ 168.041978 139.6
[M-H]- 144.045484 132.6
[M+NH4]+ 163.086583 148.9
[M+K]+ 184.015918 135.9
[M+H-H2O]+ 128.050020 116.4
[M+HCOO]- 190.050961 147.7
[M+CH3COO]- 204.066611 141.5
[M+Na-2H]- 166.027426 135.7
[M]+ 145.05221142 123.5
[M]- 145.05330858 123.5
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