CID 82502370

1-(aminomethyl)cyclobutanecarbonitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
C1CC(C1)(CN)C#N
InChI
InChI=1S/C6H10N2/c7-4-6(5-8)2-1-3-6/h1-4,7H2
InChIKey
UEBWHAAQVVWZAU-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

110.0844 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.4
[M+Na]+ 133.07362 127.9
[M-H]- 109.07712 123.9
[M+NH4]+ 128.11822 136.5
[M+K]+ 149.04756 130.3
[M+H-H2O]+ 93.081660 105.6
[M+HCOO]- 155.08260 139.6
[M+CH3COO]- 169.09825 186.6
[M+Na-2H]- 131.05907 127.4
[M]+ 110.08385 120.8
[M]- 110.08495 120.8
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