CID 10866285

1-methylpyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
CN1CCC(C1)C#N
InChI
InChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h6H,2-3,5H2,1H3
InChIKey
QXYSYYCPALRMRV-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
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 119.7
[M+Na]+ 133.073618 129.2
[M-H]- 109.077124 121.5
[M+NH4]+ 128.118223 140.7
[M+K]+ 149.047558 127.5
[M+H-H2O]+ 93.081660 107.2
[M+HCOO]- 155.082601 138.3
[M+CH3COO]- 169.098251 181.8
[M+Na-2H]- 131.059066 124.6
[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

No literature data available for this compound.

Patent stripe

patents stripe