CID 165832915

En300-1881416

Structural Information

Molecular Formula
C11H20N4O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CN(N=C1)C)N
InChI
InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-6-9(12)8-5-14-15(4)7-8/h5,7,9H,6,12H2,1-4H3,(H,13,16)
InChIKey
ZYYCBJBDADZQGJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15863 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16591 158.0
[M+Na]+ 263.14785 163.8
[M-H]- 239.15135 158.7
[M+NH4]+ 258.19245 174.1
[M+K]+ 279.12179 163.0
[M+H-H2O]+ 223.15589 150.4
[M+HCOO]- 285.15683 178.6
[M+CH3COO]- 299.17248 196.4
[M+Na-2H]- 261.13330 160.3
[M]+ 240.15808 158.3
[M]- 240.15918 158.3
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.