CID 11286483

1-aminocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
C1CC(C1)(C#N)N
InChI
InChI=1S/C5H8N2/c6-4-5(7)2-1-3-5/h1-3,7H2
InChIKey
GVUPCWCOWHNOHV-UHFFFAOYSA-N
Compound name
1-aminocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

96.06875 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 116.5
[M+Na]+ 119.05797 124.3
[M-H]- 95.061474 120.1
[M+NH4]+ 114.10257 133.0
[M+K]+ 135.03191 126.9
[M+H-H2O]+ 79.066010 101.9
[M+HCOO]- 141.06695 136.0
[M+CH3COO]- 155.08260 184.0
[M+Na-2H]- 117.04342 123.9
[M]+ 96.068201 116.5
[M]- 96.069299 116.5
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