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

97
Patents

110.0844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 119.7
[M+Na]+ 133.07362 129.2
[M-H]- 109.07712 121.5
[M+NH4]+ 128.11822 140.7
[M+K]+ 149.04756 127.5
[M+H-H2O]+ 93.081660 107.2
[M+HCOO]- 155.08260 138.3
[M+CH3COO]- 169.09825 181.8
[M+Na-2H]- 131.05907 124.6
[M]+ 110.08385 112.5
[M]- 110.08495 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