CID 140501929

3-methyl-3-(pyridin-2-yl)butanenitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C)(CC#N)C1=CC=CC=N1
InChI
InChI=1S/C10H12N2/c1-10(2,6-7-11)9-5-3-4-8-12-9/h3-5,8H,6H2,1-2H3
InChIKey
XVRIVKLCNKIRBD-UHFFFAOYSA-N
Compound name
3-methyl-3-pyridin-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 137.3
[M+Na]+ 183.08927 146.5
[M-H]- 159.09277 138.9
[M+NH4]+ 178.13387 154.7
[M+K]+ 199.06321 143.8
[M+H-H2O]+ 143.09731 124.4
[M+HCOO]- 205.09825 155.1
[M+CH3COO]- 219.11390 191.2
[M+Na-2H]- 181.07472 144.7
[M]+ 160.09950 132.3
[M]- 160.10060 132.3
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.