CID 11991203

1955558-54-9

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)(C)N1C(=CC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C13H17N3/c1-13(2,3)16-12(14)9-11(15-16)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChIKey
RNVAHWVDOAYMFU-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

215.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.6
[M+Na]+ 238.13146 159.3
[M-H]- 214.13496 155.0
[M+NH4]+ 233.17606 168.3
[M+K]+ 254.10540 155.5
[M+H-H2O]+ 198.13950 142.9
[M+HCOO]- 260.14044 172.4
[M+CH3COO]- 274.15609 190.4
[M+Na-2H]- 236.11691 155.4
[M]+ 215.14169 149.8
[M]- 215.14279 149.8
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