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

6
Patents

153.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 135.5
[M+Na]+ 176.11582 143.6
[M-H]- 152.11932 135.1
[M+NH4]+ 171.16042 155.0
[M+K]+ 192.08976 141.2
[M+H-H2O]+ 136.12386 128.8
[M+HCOO]- 198.12480 156.4
[M+CH3COO]- 212.14045 178.5
[M+Na-2H]- 174.10127 137.9
[M]+ 153.12605 133.2
[M]- 153.12715 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