CID 13437426

1-(cyclopropylamino)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CC(C1)(C#N)NC2CC2
InChI
InChI=1S/C8H12N2/c9-6-8(4-1-5-8)10-7-2-3-7/h7,10H,1-5H2
InChIKey
AYBHVGVDTBYZRR-UHFFFAOYSA-N
Compound name
1-(cyclopropylamino)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.10005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 121.5
[M+Na]+ 159.089268 134.0
[M-H]- 135.092774 130.2
[M+NH4]+ 154.133873 134.4
[M+K]+ 175.063208 133.0
[M+H-H2O]+ 119.097310 108.9
[M+HCOO]- 181.098251 142.6
[M+CH3COO]- 195.113901 194.0
[M+Na-2H]- 157.074716 130.8
[M]+ 136.09950142 126.1
[M]- 136.10059858 126.1
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