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]+ 137.10733 119.8
[M+Na]+ 159.08927 125.8
[M-H]- 135.09277 124.8
[M+NH4]+ 154.13387 129.0
[M+K]+ 175.06321 130.9
[M+H-H2O]+ 119.09731 102.0
[M+HCOO]- 181.09825 135.9
[M+CH3COO]- 195.11390 199.6
[M+Na-2H]- 157.07472 125.5
[M]+ 136.09950 126.9
[M]- 136.10060 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.