CID 20078140

2-(pyrrolidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C6H10N2
SMILES
C1CNCC1CC#N
InChI
InChI=1S/C6H10N2/c7-3-1-6-2-4-8-5-6/h6,8H,1-2,4-5H2
InChIKey
ZKKCALAGXBADEJ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

110.0844 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 121.7
[M+Na]+ 133.073618 130.0
[M-H]- 109.077124 121.9
[M+NH4]+ 128.118223 141.8
[M+K]+ 149.047558 127.5
[M+H-H2O]+ 93.081660 109.2
[M+HCOO]- 155.082601 139.0
[M+CH3COO]- 169.098251 178.4
[M+Na-2H]- 131.059066 126.7
[M]+ 110.08385142 112.5
[M]- 110.08494858 112.5
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