CID 137698870

2138127-67-8

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1COCC2=C1NN=C2C3=CC(=CC=C3)N
InChI
InChI=1S/C12H13N3O/c13-9-3-1-2-8(6-9)12-10-7-16-5-4-11(10)14-15-12/h1-3,6H,4-5,7,13H2,(H,14,15)
InChIKey
UEGMGVVMYRKXFD-UHFFFAOYSA-N
Compound name
3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 146.1
[M+Na]+ 238.095088 153.7
[M-H]- 214.098594 149.9
[M+NH4]+ 233.139693 162.2
[M+K]+ 254.069028 149.9
[M+H-H2O]+ 198.103130 138.1
[M+HCOO]- 260.104071 164.6
[M+CH3COO]- 274.119721 157.8
[M+Na-2H]- 236.080536 151.8
[M]+ 215.10532142 141.7
[M]- 215.10641858 141.7
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

No patent data available for this compound.