CID 131403204

2-(aminomethyl)spiro[3.3]heptane-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C9H14N2
SMILES
C1CC2(C1)CC(C2)(CN)C#N
InChI
InChI=1S/C9H14N2/c10-6-9(7-11)4-8(5-9)2-1-3-8/h1-6,10H2
InChIKey
IXOPUTOTPGRKQQ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)spiro[3.3]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.11569 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 126.7
[M+Na]+ 173.104908 132.8
[M-H]- 149.108414 131.9
[M+NH4]+ 168.149513 137.0
[M+K]+ 189.078848 136.8
[M+H-H2O]+ 133.112950 109.9
[M+HCOO]- 195.113891 142.6
[M+CH3COO]- 209.129541 200.9
[M+Na-2H]- 171.090356 133.2
[M]+ 150.11514142 134.2
[M]- 150.11623858 134.2
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.