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

5
Patents

217.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 146.1
[M+Na]+ 240.147118 149.6
[M-H]- 216.150624 140.8
[M+NH4]+ 235.191723 169.7
[M+K]+ 256.121058 144.6
[M+H-H2O]+ 200.155160 138.4
[M+HCOO]- 262.156101 152.4
[M+CH3COO]- 276.171751 154.4
[M+Na-2H]- 238.132566 155.2
[M]+ 217.15735142 142.9
[M]- 217.15844858 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