CID 60867191

1-tert-butyl-5-methyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C8H15N3
SMILES
CC1=C(C=NN1C(C)(C)C)N
InChI
InChI=1S/C8H15N3/c1-6-7(9)5-10-11(6)8(2,3)4/h5H,9H2,1-4H3
InChIKey
HXERSXNRVSDKIA-UHFFFAOYSA-N
Compound name
1-tert-butyl-5-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

153.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 135.1
[M+Na]+ 176.11582 144.4
[M-H]- 152.11932 136.4
[M+NH4]+ 171.16042 155.7
[M+K]+ 192.08976 142.9
[M+H-H2O]+ 136.12386 128.9
[M+HCOO]- 198.12480 156.9
[M+CH3COO]- 212.14045 179.9
[M+Na-2H]- 174.10127 140.0
[M]+ 153.12605 134.8
[M]- 153.12715 134.8
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