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

10
Patents

110.0844 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 118.5
[M+Na]+ 133.073618 125.6
[M-H]- 109.077124 121.7
[M+NH4]+ 128.118223 132.9
[M+K]+ 149.047558 128.7
[M+H-H2O]+ 93.081660 102.6
[M+HCOO]- 155.082601 137.6
[M+CH3COO]- 169.098251 188.0
[M+Na-2H]- 131.059066 123.9
[M]+ 110.08385142 118.8
[M]- 110.08494858 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