CID 89811

22734-04-9

Structural Information

Molecular Formula
C7H9N
SMILES
C1CC=C(C1)CC#N
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2
InChIKey
LEWVRAMNXUWSFL-UHFFFAOYSA-N
Compound name
2-(cyclopenten-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

184
Patents

107.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 121.8
[M+Na]+ 130.062718 131.4
[M-H]- 106.066224 125.0
[M+NH4]+ 125.107323 144.0
[M+K]+ 146.036658 128.8
[M+H-H2O]+ 90.070760 110.1
[M+HCOO]- 152.071701 142.7
[M+CH3COO]- 166.087351 180.9
[M+Na-2H]- 128.048166 127.7
[M]+ 107.07295142 115.5
[M]- 107.07404858 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe