CID 797066

1-benzyl-1h-indazole

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C=N2
InChI
InChI=1S/C14H12N2/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16/h1-10H,11H2
InChIKey
XWJHQOWAYSWCRY-UHFFFAOYSA-N
Compound name
1-benzylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

490
Patents

208.10005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 144.2
[M+Na]+ 231.08927 154.3
[M-H]- 207.09277 149.6
[M+NH4]+ 226.13387 163.1
[M+K]+ 247.06321 149.1
[M+H-H2O]+ 191.09731 135.6
[M+HCOO]- 253.09825 168.0
[M+CH3COO]- 267.11390 157.8
[M+Na-2H]- 229.07472 152.8
[M]+ 208.09950 145.6
[M]- 208.10060 145.6
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