CID 103854077

1694621-06-1

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C1=CNN=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17N3O2/c1-7(8-5-11-12-6-8)13-9(14)15-10(2,3)4/h5-7H,1-4H3,(H,11,12)(H,13,14)
InChIKey
PAGQXFSRGPLPCD-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 150.4
[M+Na]+ 234.12130 156.2
[M-H]- 210.12480 150.0
[M+NH4]+ 229.16590 167.3
[M+K]+ 250.09524 155.1
[M+H-H2O]+ 194.12934 143.4
[M+HCOO]- 256.13028 169.4
[M+CH3COO]- 270.14593 185.2
[M+Na-2H]- 232.10675 154.0
[M]+ 211.13153 149.8
[M]- 211.13263 149.8
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.