CID 11195578

1h-perimidine-2,2(3h)-dimethanol

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)(CO)CO
InChI
InChI=1S/C13H14N2O2/c16-7-13(8-17)14-10-5-1-3-9-4-2-6-11(15-13)12(9)10/h1-6,14-17H,7-8H2
InChIKey
ZXZRZSQIGHCYCW-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-1,3-dihydroperimidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

230.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 153.0
[M+Na]+ 253.09475 160.6
[M-H]- 229.09825 149.6
[M+NH4]+ 248.13935 169.9
[M+K]+ 269.06869 154.2
[M+H-H2O]+ 213.10279 146.1
[M+HCOO]- 275.10373 164.8
[M+CH3COO]- 289.11938 162.5
[M+Na-2H]- 251.08020 161.7
[M]+ 230.10498 148.7
[M]- 230.10608 148.7
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

patents stripe