CID 60109340

1-tert-butyl-1h-indazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)(C)N1C2=CC=CC=C2C=N1
InChI
InChI=1S/C11H14N2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12-13/h4-8H,1-3H3
InChIKey
IEOHCKVBTVEQDA-UHFFFAOYSA-N
Compound name
1-tert-butylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

174.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 138.5
[M+Na]+ 197.104908 149.1
[M-H]- 173.108414 141.2
[M+NH4]+ 192.149513 159.7
[M+K]+ 213.078848 146.1
[M+H-H2O]+ 157.112950 132.0
[M+HCOO]- 219.113891 160.4
[M+CH3COO]- 233.129541 180.7
[M+Na-2H]- 195.090356 147.1
[M]+ 174.11514142 141.0
[M]- 174.11623858 141.0
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