CID 22688888

2-(3-methylpiperidino)acetonitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
CC1CCCN(C1)CC#N
InChI
InChI=1S/C8H14N2/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-3,5-7H2,1H3
InChIKey
FACOYHQFZOVUQZ-UHFFFAOYSA-N
Compound name
2-(3-methylpiperidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

138.11569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 126.8
[M+Na]+ 161.10491 134.6
[M-H]- 137.10841 128.2
[M+NH4]+ 156.14951 145.2
[M+K]+ 177.07885 132.6
[M+H-H2O]+ 121.11295 114.2
[M+HCOO]- 183.11389 143.0
[M+CH3COO]- 197.12954 187.4
[M+Na-2H]- 159.09036 132.1
[M]+ 138.11514 118.4
[M]- 138.11624 118.4
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