CID 95270

1-pyrrolidineacetonitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
C1CCN(C1)CC#N
InChI
InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2
InChIKey
NPRYXVXVLCYBNS-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1210
Patents

110.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.1
[M+Na]+ 133.07362 128.8
[M-H]- 109.07712 121.5
[M+NH4]+ 128.11822 140.8
[M+K]+ 149.04756 127.0
[M+H-H2O]+ 93.081660 107.3
[M+HCOO]- 155.08260 138.7
[M+CH3COO]- 169.09825 180.8
[M+Na-2H]- 131.05907 125.6
[M]+ 110.08385 112.6
[M]- 110.08495 112.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe