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

28
Patents

212.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.3
[M+Na]+ 235.10531 157.4
[M+NH4]+ 230.14991 153.7
[M+K]+ 251.07925 156.0
[M-H]- 211.10881 145.9
[M+Na-2H]- 233.09076 151.2
[M]+ 212.11554 148.6
[M]- 212.11664 148.6
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