CID 19620093

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

Structural Information

Molecular Formula
C8H15N3
SMILES
CCCCN1C(=C(C=N1)N)C
InChI
InChI=1S/C8H15N3/c1-3-4-5-11-7(2)8(9)6-10-11/h6H,3-5,9H2,1-2H3
InChIKey
BTHRHWILEKHFKG-UHFFFAOYSA-N
Compound name
1-butyl-5-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 134.1
[M+Na]+ 176.115818 142.9
[M-H]- 152.119324 134.9
[M+NH4]+ 171.160423 154.4
[M+K]+ 192.089758 140.9
[M+H-H2O]+ 136.123860 127.0
[M+HCOO]- 198.124801 157.5
[M+CH3COO]- 212.140451 180.2
[M+Na-2H]- 174.101266 138.3
[M]+ 153.12605142 134.3
[M]- 153.12714858 134.3
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

patents stripe