CID 2106897

1-aminocyclopentanecarbonitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
C1CCC(C1)(C#N)N
InChI
InChI=1S/C6H10N2/c7-5-6(8)3-1-2-4-6/h1-4,8H2
InChIKey
KFPMRYNOEZCHDP-UHFFFAOYSA-N
Compound name
1-aminocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

318
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 123.6
[M+Na]+ 133.07362 132.8
[M-H]- 109.07712 126.6
[M+NH4]+ 128.11822 146.9
[M+K]+ 149.04756 130.0
[M+H-H2O]+ 93.081660 112.5
[M+HCOO]- 155.08260 143.8
[M+CH3COO]- 169.09825 181.7
[M+Na-2H]- 131.05907 129.4
[M]+ 110.08385 114.4
[M]- 110.08495 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe