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

14
Patents

128.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 125.3
[M+Na]+ 151.04780 131.5
[M-H]- 127.05130 123.1
[M+NH4]+ 146.09240 142.9
[M+K]+ 167.02174 129.9
[M+H-H2O]+ 111.05584 118.9
[M+HCOO]- 173.05678 142.3
[M+CH3COO]- 187.07243 164.1
[M+Na-2H]- 149.03325 131.4
[M]+ 128.05803 119.7
[M]- 128.05913 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