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

98
Patents

124.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 126.7
[M+Na]+ 147.08927 135.6
[M-H]- 123.09277 130.0
[M+NH4]+ 142.13387 149.7
[M+K]+ 163.06321 132.8
[M+H-H2O]+ 107.09731 115.5
[M+HCOO]- 169.09825 147.2
[M+CH3COO]- 183.11390 185.1
[M+Na-2H]- 145.07472 133.0
[M]+ 124.09950 118.7
[M]- 124.10060 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