CID 162377521

5-methylspiro[2.3]hexane-5-carbonitrile

Structural Information

Molecular Formula
C8H11N
SMILES
CC1(CC2(C1)CC2)C#N
InChI
InChI=1S/C8H11N/c1-7(6-9)4-8(5-7)2-3-8/h2-5H2,1H3
InChIKey
YHTVMTQQGZWCDS-UHFFFAOYSA-N
Compound name
5-methylspiro[2.3]hexane-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

121.08915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 120.2
[M+Na]+ 144.078368 135.2
[M-H]- 120.081874 129.2
[M+NH4]+ 139.122973 136.3
[M+K]+ 160.052308 133.8
[M+H-H2O]+ 104.086410 109.8
[M+HCOO]- 166.087351 140.2
[M+CH3COO]- 180.103001 190.2
[M+Na-2H]- 142.063816 130.7
[M]+ 121.08860142 126.7
[M]- 121.08969858 126.7
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.