CID 54249732

Tert-butyl 4-(2-hydroxyethyl)-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)CCO
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-7-8(4-5-13)6-11-12/h6-7,13H,4-5H2,1-3H3
InChIKey
QVXACZCIJWUOQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxyethyl)pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

212.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 148.9
[M+Na]+ 235.105308 156.8
[M-H]- 211.108814 148.9
[M+NH4]+ 230.149913 166.5
[M+K]+ 251.079248 155.8
[M+H-H2O]+ 195.113350 142.5
[M+HCOO]- 257.114291 168.1
[M+CH3COO]- 271.129941 182.6
[M+Na-2H]- 233.090756 152.7
[M]+ 212.11554142 151.7
[M]- 212.11663858 151.7
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