CID 58855

101756-36-9

Structural Information

Molecular Formula
C9H13N3
SMILES
CN1CCC(CC1)C(C#N)C#N
InChI
InChI=1S/C9H13N3/c1-12-4-2-8(3-5-12)9(6-10)7-11/h8-9H,2-5H2,1H3
InChIKey
LMESRHBPHZOEEO-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 143.8
[M+Na]+ 186.10017 151.6
[M-H]- 162.10367 145.9
[M+NH4]+ 181.14477 156.4
[M+K]+ 202.07411 148.9
[M+H-H2O]+ 146.10821 128.4
[M+HCOO]- 208.10915 153.0
[M+CH3COO]- 222.12480 213.1
[M+Na-2H]- 184.08562 145.4
[M]+ 163.11040 133.0
[M]- 163.11150 133.0
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