CID 55288174

1,4,5,6-tetrahydropyrimidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1CN=CNC1C(=O)O
InChI
InChI=1S/C5H8N2O2/c8-5(9)4-1-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)
InChIKey
BLCZASRHXNXCGE-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.3
[M+Na]+ 151.047798 131.5
[M-H]- 127.051304 123.1
[M+NH4]+ 146.092403 142.9
[M+K]+ 167.021738 129.9
[M+H-H2O]+ 111.055840 118.9
[M+HCOO]- 173.056781 142.3
[M+CH3COO]- 187.072431 164.1
[M+Na-2H]- 149.033246 131.4
[M]+ 128.05803142 119.7
[M]- 128.05912858 119.7
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