CID 166610691

6-aminospiro[3.3]heptane-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H12N2
SMILES
C1C(CC12CC(C2)N)C#N
InChI
InChI=1S/C8H12N2/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7H,1-4,10H2
InChIKey
SXHRSAMYZGQOID-UHFFFAOYSA-N
Compound name
2-aminospiro[3.3]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.10005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 119.8
[M+Na]+ 159.089268 125.8
[M-H]- 135.092774 124.8
[M+NH4]+ 154.133873 129.0
[M+K]+ 175.063208 130.9
[M+H-H2O]+ 119.097310 102.0
[M+HCOO]- 181.098251 135.9
[M+CH3COO]- 195.113901 199.6
[M+Na-2H]- 157.074716 125.5
[M]+ 136.09950142 126.9
[M]- 136.10059858 126.9
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

No patent data available for this compound.