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]+ 203.154276 143.2
[M+Na]+ 225.136218 147.6
[M-H]- 201.139724 149.4
[M+NH4]+ 220.180823 151.1
[M+K]+ 241.110158 150.0
[M+H-H2O]+ 185.144260 128.2
[M+HCOO]- 247.145201 161.0
[M+CH3COO]- 261.160851 198.0
[M+Na-2H]- 223.121666 149.7
[M]+ 202.14645142 155.7
[M]- 202.14754858 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.