CID 135409353

362512-40-1

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC(CN1C2=C(C=CC(=C2)O)C=N1)N
InChI
InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3
InChIKey
WBYHTZYHAFNBKW-UHFFFAOYSA-N
Compound name
1-(2-aminopropyl)indazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

118
Patents

191.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 140.6
[M+Na]+ 214.095088 150.2
[M-H]- 190.098594 141.6
[M+NH4]+ 209.139693 159.6
[M+K]+ 230.069028 146.7
[M+H-H2O]+ 174.103130 133.6
[M+HCOO]- 236.104071 162.5
[M+CH3COO]- 250.119721 183.7
[M+Na-2H]- 212.080536 146.2
[M]+ 191.10532142 140.9
[M]- 191.10641858 140.9
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