CID 12570647

2-methyl-2-(pyrrolidin-1-yl)propanenitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
CC(C)(C#N)N1CCCC1
InChI
InChI=1S/C8H14N2/c1-8(2,7-9)10-5-3-4-6-10/h3-6H2,1-2H3
InChIKey
GUGMWCUXIGSRJX-UHFFFAOYSA-N
Compound name
2-methyl-2-pyrrolidin-1-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

138.11569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 131.8
[M+Na]+ 161.104908 140.0
[M-H]- 137.108414 133.3
[M+NH4]+ 156.149513 151.6
[M+K]+ 177.078848 138.3
[M+H-H2O]+ 121.112950 119.3
[M+HCOO]- 183.113891 148.4
[M+CH3COO]- 197.129541 186.5
[M+Na-2H]- 159.090356 136.7
[M]+ 138.11514142 124.5
[M]- 138.11623858 124.5
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