CID 28566361

2-(cyclopentylamino)acetonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CCC(C1)NCC#N
InChI
InChI=1S/C7H12N2/c8-5-6-9-7-3-1-2-4-7/h7,9H,1-4,6H2
InChIKey
WOBHGFXOOLANIC-UHFFFAOYSA-N
Compound name
2-(cyclopentylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

124.10005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 126.7
[M+Na]+ 147.089268 134.3
[M-H]- 123.092774 129.4
[M+NH4]+ 142.133873 147.7
[M+K]+ 163.063208 132.1
[M+H-H2O]+ 107.097310 114.4
[M+HCOO]- 169.098251 147.0
[M+CH3COO]- 183.113901 185.5
[M+Na-2H]- 145.074716 131.9
[M]+ 124.09950142 118.3
[M]- 124.10059858 118.3
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