CID 597195

1886-34-6

Structural Information

Molecular Formula

C₇H₁₀N₄O

SMILES

CC1=NC=C(C(=N1)N)CNC=O

InChI

InChI=1S/C7H10N4O/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)

InChIKey

PVWNFAGYFUUDRC-UHFFFAOYSA-N

Compound name

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 77
Patents: 166.08546 Da
Monoisotopic Mass: -0.1
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]+	167.09274	134.2
[M+Na]+	189.07468	143.0
[M-H]-	165.07818	135.3
[M+NH4]+	184.11928	151.7
[M+K]+	205.04862	140.6
[M+H-H2O]+	149.08272	126.7
[M+HCOO]-	211.08366	158.7
[M+CH3COO]-	225.09931	183.3
[M+Na-2H]-	187.06013	141.8
[M]+	166.08491	133.4
[M]-	166.08601	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe