CID 11126737

1-(2-phenylethyl)-1h-pyrazole

Structural Information

Molecular Formula
C11H12N2
SMILES
C1=CC=C(C=C1)CCN2C=CC=N2
InChI
InChI=1S/C11H12N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-6,8-9H,7,10H2
InChIKey
JEXOBLNGJXHXPS-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

172.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.0
[M+Na]+ 195.08927 144.0
[M-H]- 171.09277 139.9
[M+NH4]+ 190.13387 155.2
[M+K]+ 211.06321 140.8
[M+H-H2O]+ 155.09731 127.7
[M+HCOO]- 217.09825 159.6
[M+CH3COO]- 231.11390 149.4
[M+Na-2H]- 193.07472 143.2
[M]+ 172.09950 135.9
[M]- 172.10060 135.9
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