CID 154878865

1-methyl-2-(oxolan-2-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN1CCCN=C1C2CCCO2
InChI
InChI=1S/C9H16N2O/c1-11-6-3-5-10-9(11)8-4-2-7-12-8/h8H,2-7H2,1H3
InChIKey
VDBVPOQAUMQQDR-UHFFFAOYSA-N
Compound name
1-methyl-2-(oxolan-2-yl)-5,6-dihydro-4H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 137.5
[M+Na]+ 191.11549 143.0
[M-H]- 167.11899 141.1
[M+NH4]+ 186.16009 155.4
[M+K]+ 207.08943 142.7
[M+H-H2O]+ 151.12353 129.6
[M+HCOO]- 213.12447 155.1
[M+CH3COO]- 227.14012 176.8
[M+Na-2H]- 189.10094 141.4
[M]+ 168.12572 133.2
[M]- 168.12682 133.2
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

No patent data available for this compound.