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

7
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 118.5
[M+Na]+ 133.07362 125.6
[M-H]- 109.07712 121.7
[M+NH4]+ 128.11822 132.9
[M+K]+ 149.04756 128.7
[M+H-H2O]+ 93.081660 102.6
[M+HCOO]- 155.08260 137.6
[M+CH3COO]- 169.09825 188.0
[M+Na-2H]- 131.05907 123.9
[M]+ 110.08385 118.8
[M]- 110.08495 118.8
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