CID 146155286

3-(1-methylcyclobutyl)prop-2-enenitrile

Structural Information

Molecular Formula
C8H11N
SMILES
CC1(CCC1)/C=C/C#N
InChI
InChI=1S/C8H11N/c1-8(4-2-5-8)6-3-7-9/h3,6H,2,4-5H2,1H3/b6-3+
InChIKey
VUGUQYWSLPBMLC-ZZXKWVIFSA-N
Compound name
(E)-3-(1-methylcyclobutyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.08915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 121.5
[M+Na]+ 144.07837 129.9
[M-H]- 120.08187 125.6
[M+NH4]+ 139.12297 138.0
[M+K]+ 160.05231 131.2
[M+H-H2O]+ 104.08641 107.4
[M+HCOO]- 166.08735 140.3
[M+CH3COO]- 180.10300 187.0
[M+Na-2H]- 142.06382 128.7
[M]+ 121.08860 123.6
[M]- 121.08970 123.6
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.