CID 68955

Gapicomine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CN=CC=C1CNCC2=CC=NC=C2
InChI
InChI=1S/C12H13N3/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h1-8,15H,9-10H2
InChIKey
AUQQZPGNRKTPSQ-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

91
Patents

199.11095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 142.9
[M+Na]+ 222.10017 149.6
[M-H]- 198.10367 146.4
[M+NH4]+ 217.14477 158.6
[M+K]+ 238.07411 145.5
[M+H-H2O]+ 182.10821 133.7
[M+HCOO]- 244.10915 166.4
[M+CH3COO]- 258.12480 155.0
[M+Na-2H]- 220.08562 152.9
[M]+ 199.11040 141.6
[M]- 199.11150 141.6
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.