CID 51000375

1240567-28-5

Structural Information

Molecular Formula
C8H15N3
SMILES
CC(C)(C)CN1C=C(C=N1)N
InChI
InChI=1S/C8H15N3/c1-8(2,3)6-11-5-7(9)4-10-11/h4-5H,6,9H2,1-3H3
InChIKey
LLIRGMHDUSXEBW-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.1266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 135.3
[M+Na]+ 176.115818 143.7
[M-H]- 152.119324 136.2
[M+NH4]+ 171.160423 155.5
[M+K]+ 192.089758 142.1
[M+H-H2O]+ 136.123860 128.7
[M+HCOO]- 198.124801 157.1
[M+CH3COO]- 212.140451 178.7
[M+Na-2H]- 174.101266 140.9
[M]+ 153.12605142 134.6
[M]- 153.12714858 134.6
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