CID 131392336

3-(aminomethyl)cyclobutane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H10N2
SMILES
C1C(CC1C#N)CN
InChI
InChI=1S/C6H10N2/c7-3-5-1-6(2-5)4-8/h5-6H,1-3,7H2
InChIKey
MRGFCRUGPMFUHD-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

110.0844 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 127.2
[M+Na]+ 133.07362 132.9
[M+NH4]+ 128.11822 129.0
[M+K]+ 149.04756 126.3
[M-H]- 109.07712 119.7
[M+Na-2H]- 131.05907 127.5
[M]+ 110.08385 123.9
[M]- 110.08495 123.9
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