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

11
Patents

136.10005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 121.5
[M+Na]+ 159.08927 134.0
[M-H]- 135.09277 130.2
[M+NH4]+ 154.13387 134.4
[M+K]+ 175.06321 133.0
[M+H-H2O]+ 119.09731 108.9
[M+HCOO]- 181.09825 142.6
[M+CH3COO]- 195.11390 194.0
[M+Na-2H]- 157.07472 130.8
[M]+ 136.09950 126.1
[M]- 136.10060 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