CID 80521709

1542558-35-9

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2(C1)CC(C2)(CN)C3=CC=CC=N3
InChI
InChI=1S/C13H18N2/c14-10-13(11-4-1-2-7-15-11)8-12(9-13)5-3-6-12/h1-2,4,7H,3,5-6,8-10,14H2
InChIKey
BXVPTSBDOQIYOS-UHFFFAOYSA-N
Compound name
(2-pyridin-2-ylspiro[3.3]heptan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 143.2
[M+Na]+ 225.13622 147.6
[M-H]- 201.13972 149.4
[M+NH4]+ 220.18082 151.1
[M+K]+ 241.11016 150.0
[M+H-H2O]+ 185.14426 128.2
[M+HCOO]- 247.14520 161.0
[M+CH3COO]- 261.16085 198.0
[M+Na-2H]- 223.12167 149.7
[M]+ 202.14645 155.7
[M]- 202.14755 155.7
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.