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]+ 122.096426 121.5
[M+Na]+ 144.078368 129.9
[M-H]- 120.081874 125.6
[M+NH4]+ 139.122973 138.0
[M+K]+ 160.052308 131.2
[M+H-H2O]+ 104.086410 107.4
[M+HCOO]- 166.087351 140.3
[M+CH3COO]- 180.103001 187.0
[M+Na-2H]- 142.063816 128.7
[M]+ 121.08860142 123.6
[M]- 121.08969858 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.