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

27
Patents

138.11569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 131.8
[M+Na]+ 161.10491 140.0
[M-H]- 137.10841 133.3
[M+NH4]+ 156.14951 151.6
[M+K]+ 177.07885 138.3
[M+H-H2O]+ 121.11295 119.3
[M+HCOO]- 183.11389 148.4
[M+CH3COO]- 197.12954 186.5
[M+Na-2H]- 159.09036 136.7
[M]+ 138.11514 124.5
[M]- 138.11624 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