CID 139329428

2217673-44-2

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)NCCC1=CC=NN1
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-4-8-5-7-12-13-8/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
AGKJIKWXTBMMBO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 150.3
[M+Na]+ 234.12130 156.4
[M-H]- 210.12480 149.8
[M+NH4]+ 229.16590 167.3
[M+K]+ 250.09524 154.7
[M+H-H2O]+ 194.12934 143.1
[M+HCOO]- 256.13028 170.3
[M+CH3COO]- 270.14593 184.3
[M+Na-2H]- 232.10675 155.0
[M]+ 211.13153 150.4
[M]- 211.13263 150.4
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