CID 12945445

1-(methylamino)cyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
CNC1(CCCC1)C#N
InChI
InChI=1S/C7H12N2/c1-9-7(6-8)4-2-3-5-7/h9H,2-5H2,1H3
InChIKey
KNIPASVZFLFVSD-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

124.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 126.7
[M+Na]+ 147.089268 135.6
[M-H]- 123.092774 130.0
[M+NH4]+ 142.133873 149.7
[M+K]+ 163.063208 132.8
[M+H-H2O]+ 107.097310 115.5
[M+HCOO]- 169.098251 147.2
[M+CH3COO]- 183.113901 185.1
[M+Na-2H]- 145.074716 133.0
[M]+ 124.09950142 118.7
[M]- 124.10059858 118.7
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