CID 45091900

123363-50-8

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CC(C)(C)OC(=O)NC1=NNC(=C1)N
InChI
InChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)10-6-4-5(9)11-12-6/h4H,1-3H3,(H4,9,10,11,12,13)
InChIKey
OYSIFSGQDRRKHG-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-1H-pyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

198.11168 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 144.7
[M+Na]+ 221.10090 151.6
[M-H]- 197.10440 144.4
[M+NH4]+ 216.14550 161.8
[M+K]+ 237.07484 150.1
[M+H-H2O]+ 181.10894 137.8
[M+HCOO]- 243.10988 165.7
[M+CH3COO]- 257.12553 184.0
[M+Na-2H]- 219.08635 149.2
[M]+ 198.11113 142.6
[M]- 198.11223 142.6
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