CID 130016380

1402730-29-3

Structural Information

Molecular Formula
C9H16N4O2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NN1)N
InChI
InChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)11-5-6-4-7(10)13-12-6/h4H,5H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKey
ZYJSLBMEMHZAHG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-amino-1H-pyrazol-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13460 147.7
[M+Na]+ 235.11654 154.5
[M+NH4]+ 230.16114 152.6
[M+K]+ 251.09048 154.0
[M-H]- 211.12004 146.1
[M+Na-2H]- 233.10199 150.3
[M]+ 212.12677 147.6
[M]- 212.12787 147.6
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

No patent data available for this compound.