CID 43381453

1,3-di-tert-butyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H21N3
SMILES
CC(C)(C)C1=NN(C(=C1)N)C(C)(C)C
InChI
InChI=1S/C11H21N3/c1-10(2,3)8-7-9(12)14(13-8)11(4,5)6/h7H,12H2,1-6H3
InChIKey
CQCGLMBJVRDWGL-UHFFFAOYSA-N
Compound name
1,3-ditert-butylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

195.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.180826 149.0
[M+Na]+ 218.162768 157.5
[M-H]- 194.166274 150.2
[M+NH4]+ 213.207373 168.1
[M+K]+ 234.136708 155.7
[M+H-H2O]+ 178.170810 143.1
[M+HCOO]- 240.171751 168.2
[M+CH3COO]- 254.187401 188.8
[M+Na-2H]- 216.148216 153.2
[M]+ 195.17300142 149.2
[M]- 195.17409858 149.2
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