CID 71302046

1909317-09-4

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CCC(C1)(CN)C#N
InChI
InChI=1S/C7H12N2/c8-5-7(6-9)3-1-2-4-7/h1-5,8H2
InChIKey
IYTBULKZSACADZ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 127.5
[M+Na]+ 147.089268 136.3
[M-H]- 123.092774 130.3
[M+NH4]+ 142.133873 150.3
[M+K]+ 163.063208 133.2
[M+H-H2O]+ 107.097310 116.2
[M+HCOO]- 169.098251 147.4
[M+CH3COO]- 183.113901 184.4
[M+Na-2H]- 145.074716 132.8
[M]+ 124.09950142 118.6
[M]- 124.10059858 118.6
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