CID 6466029

Rhodblock 6

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1CC(C1)C(=O)NC2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C12H13N3O/c16-12(8-2-1-3-8)14-10-4-5-11-9(6-10)7-13-15-11/h4-8H,1-3H2,(H,13,15)(H,14,16)
InChIKey
GXJXOQKXBIPBKB-UHFFFAOYSA-N
Compound name
N-(1H-indazol-5-yl)cyclobutanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

4
Patents

215.10587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 145.1
[M+Na]+ 238.095088 151.3
[M-H]- 214.098594 148.8
[M+NH4]+ 233.139693 156.2
[M+K]+ 254.069028 150.4
[M+H-H2O]+ 198.103130 131.8
[M+HCOO]- 260.104071 165.2
[M+CH3COO]- 274.119721 189.1
[M+Na-2H]- 236.080536 150.8
[M]+ 215.10532142 151.7
[M]- 215.10641858 151.7
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