CID 12933341

33581-98-5

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CN=CN=C1CO
InChI
InChI=1S/C5H6N2O/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2
InChIKey
OEYVFRVNVPKHQQ-UHFFFAOYSA-N
Compound name
pyrimidin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

411
Patents

110.04801 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 118.4
[M+Na]+ 133.03723 127.2
[M-H]- 109.04073 118.2
[M+NH4]+ 128.08183 137.9
[M+K]+ 149.01117 125.7
[M+H-H2O]+ 93.045270 111.9
[M+HCOO]- 155.04621 140.4
[M+CH3COO]- 169.06186 164.0
[M+Na-2H]- 131.02268 128.5
[M]+ 110.04746 117.5
[M]- 110.04856 117.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe