CID 50986558

1311416-79-1

Structural Information

Molecular Formula
C8H15N3
SMILES
CC1=C(C(=NN1)N)CC(C)C
InChI
InChI=1S/C8H15N3/c1-5(2)4-7-6(3)10-11-8(7)9/h5H,4H2,1-3H3,(H3,9,10,11)
InChIKey
ZRAYBCXBSHMAKB-UHFFFAOYSA-N
Compound name
5-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 135.5
[M+Na]+ 176.115818 143.6
[M-H]- 152.119324 135.1
[M+NH4]+ 171.160423 155.0
[M+K]+ 192.089758 141.2
[M+H-H2O]+ 136.123860 128.8
[M+HCOO]- 198.124801 156.4
[M+CH3COO]- 212.140451 178.5
[M+Na-2H]- 174.101266 137.9
[M]+ 153.12605142 133.2
[M]- 153.12714858 133.2
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