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]+ 125.10733 126.7
[M+Na]+ 147.08927 134.3
[M-H]- 123.09277 129.4
[M+NH4]+ 142.13387 147.7
[M+K]+ 163.06321 132.1
[M+H-H2O]+ 107.09731 114.4
[M+HCOO]- 169.09825 147.0
[M+CH3COO]- 183.11390 185.5
[M+Na-2H]- 145.07472 131.9
[M]+ 124.09950 118.3
[M]- 124.10060 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