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

33
Patents

230.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 153.0
[M+Na]+ 253.094748 160.6
[M-H]- 229.098254 149.6
[M+NH4]+ 248.139353 169.9
[M+K]+ 269.068688 154.2
[M+H-H2O]+ 213.102790 146.1
[M+HCOO]- 275.103731 164.8
[M+CH3COO]- 289.119381 162.5
[M+Na-2H]- 251.080196 161.7
[M]+ 230.10498142 148.7
[M]- 230.10607858 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