CID 13491754

5-tert-butyl-n-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H15N3
SMILES
CC(C)(C)C1=CC(=NN1)NC
InChI
InChI=1S/C8H15N3/c1-8(2,3)6-5-7(9-4)11-10-6/h5H,1-4H3,(H2,9,10,11)
InChIKey
KMYRGANVYIGAOI-UHFFFAOYSA-N
Compound name
5-tert-butyl-N-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

153.1266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 135.7
[M+Na]+ 176.115818 143.6
[M-H]- 152.119324 135.7
[M+NH4]+ 171.160423 155.5
[M+K]+ 192.089758 141.5
[M+H-H2O]+ 136.123860 129.4
[M+HCOO]- 198.124801 156.6
[M+CH3COO]- 212.140451 176.7
[M+Na-2H]- 174.101266 141.8
[M]+ 153.12605142 134.1
[M]- 153.12714858 134.1
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