CID 12510992

2-(pyrrolidin-1-yl)butanenitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
CCC(C#N)N1CCCC1
InChI
InChI=1S/C8H14N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-6H2,1H3
InChIKey
GIZMBLLDGLCEQX-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

138.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 129.7
[M+Na]+ 161.10491 137.3
[M-H]- 137.10841 130.9
[M+NH4]+ 156.14951 149.3
[M+K]+ 177.07885 135.4
[M+H-H2O]+ 121.11295 116.5
[M+HCOO]- 183.11389 146.7
[M+CH3COO]- 197.12954 187.0
[M+Na-2H]- 159.09036 133.0
[M]+ 138.11514 122.2
[M]- 138.11624 122.2
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