CID 3031275

60706-59-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 134.3
[M+Na]+ 176.115818 143.9
[M-H]- 152.119324 135.8
[M+NH4]+ 171.160423 155.0
[M+K]+ 192.089758 142.3
[M+H-H2O]+ 136.123860 127.9
[M+HCOO]- 198.124801 156.8
[M+CH3COO]- 212.140451 182.2
[M+Na-2H]- 174.101266 136.7
[M]+ 153.12605142 134.4
[M]- 153.12714858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe