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

35
Patents

198.11168 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 144.7
[M+Na]+ 221.100898 151.6
[M-H]- 197.104404 144.4
[M+NH4]+ 216.145503 161.8
[M+K]+ 237.074838 150.1
[M+H-H2O]+ 181.108940 137.8
[M+HCOO]- 243.109881 165.7
[M+CH3COO]- 257.125531 184.0
[M+Na-2H]- 219.086346 149.2
[M]+ 198.11113142 142.6
[M]- 198.11222858 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