CID 18953632

Pyrimidin-5-ylmethanamine

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1=C(C=NC=N1)CN

InChI

InChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2

InChIKey

USRYWZFLGFQQEB-UHFFFAOYSA-N

Compound name

pyrimidin-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 418
Patents: 109.063995 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	110.071271	119.0
[M+Na]+	132.053213	127.4
[M-H]-	108.056719	119.6
[M+NH4]+	127.097818	138.6
[M+K]+	148.027153	125.8
[M+H-H2O]+	92.061255	112.0
[M+HCOO]-	154.062196	142.7
[M+CH3COO]-	168.077846	168.7
[M+Na-2H]-	130.038661	128.9
[M]+	109.06344642	116.7
[M]-	109.06454358	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe