CID 68328150

1401222-55-6

Structural Information

Molecular Formula
C12H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NNC(=C2)N
InChI
InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)17-6-4-16(5-7-17)10-8-9(13)14-15-10/h8H,4-7H2,1-3H3,(H3,13,14,15)
InChIKey
LJSFKBVHYJBQBF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-amino-1H-pyrazol-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

267.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17681 166.2
[M+Na]+ 290.15875 171.5
[M-H]- 266.16225 165.7
[M+NH4]+ 285.20335 177.8
[M+K]+ 306.13269 168.6
[M+H-H2O]+ 250.16679 157.1
[M+HCOO]- 312.16773 179.3
[M+CH3COO]- 326.18338 194.9
[M+Na-2H]- 288.14420 167.0
[M]+ 267.16898 161.2
[M]- 267.17008 161.2
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