CID 3160974

2-isopropyl-5-pyrimidinecarbaldehyde

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC(C)C1=NC=C(C=N1)C=O

InChI

InChI=1S/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3

InChIKey

ZXPVVKXNLOGLGN-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 150.07932 Da
Monoisotopic Mass: 0.8
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]+	151.086596	129.9
[M+Na]+	173.068538	138.9
[M-H]-	149.072044	131.2
[M+NH4]+	168.113143	148.7
[M+K]+	189.042478	137.3
[M+H-H2O]+	133.076580	123.0
[M+HCOO]-	195.077521	151.7
[M+CH3COO]-	209.093171	176.8
[M+Na-2H]-	171.053986	137.0
[M]+	150.07877142	131.0
[M]-	150.07986858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe