CID 3016530

5-methylhex-5-enenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC(=C)CCCC#N
InChI
InChI=1S/C7H11N/c1-7(2)5-3-4-6-8/h1,3-5H2,2H3
InChIKey
NETAIQQWYLQFTM-UHFFFAOYSA-N
Compound name
5-methylhex-5-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

109.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 122.3
[M+Na]+ 132.078368 131.2
[M-H]- 108.081874 123.3
[M+NH4]+ 127.122973 143.2
[M+K]+ 148.052308 130.2
[M+H-H2O]+ 92.086410 111.6
[M+HCOO]- 154.087351 141.8
[M+CH3COO]- 168.103001 184.7
[M+Na-2H]- 130.063816 127.9
[M]+ 109.08860142 117.9
[M]- 109.08969858 117.9
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