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]+ 151.12297 126.7
[M+Na]+ 173.10491 132.8
[M-H]- 149.10841 131.9
[M+NH4]+ 168.14951 137.0
[M+K]+ 189.07885 136.8
[M+H-H2O]+ 133.11295 109.9
[M+HCOO]- 195.11389 142.6
[M+CH3COO]- 209.12954 200.9
[M+Na-2H]- 171.09036 133.2
[M]+ 150.11514 134.2
[M]- 150.11624 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.