CID 11127715

5-(adamantan-1-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C13H19N3
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)N
InChI
InChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16)
InChIKey
QQDOAENFCVMKSC-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 146.1
[M+Na]+ 240.14712 149.6
[M-H]- 216.15062 140.8
[M+NH4]+ 235.19172 169.7
[M+K]+ 256.12106 144.6
[M+H-H2O]+ 200.15516 138.4
[M+HCOO]- 262.15610 152.4
[M+CH3COO]- 276.17175 154.4
[M+Na-2H]- 238.13257 155.2
[M]+ 217.15735 142.9
[M]- 217.15845 142.9
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