CID 137698871

2138570-31-5

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1COCC2=C1NN=C2C3=CC=C(C=C3)N
InChI
InChI=1S/C12H13N3O/c13-9-3-1-8(2-4-9)12-10-7-16-6-5-11(10)14-15-12/h1-4H,5-7,13H2,(H,14,15)
InChIKey
HWMPTEYWRBLHLJ-UHFFFAOYSA-N
Compound name
4-(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]+ 216.11315 146.1
[M+Na]+ 238.09509 153.7
[M-H]- 214.09859 149.9
[M+NH4]+ 233.13969 162.2
[M+K]+ 254.06903 149.9
[M+H-H2O]+ 198.10313 138.1
[M+HCOO]- 260.10407 164.6
[M+CH3COO]- 274.11972 157.8
[M+Na-2H]- 236.08054 151.8
[M]+ 215.10532 141.7
[M]- 215.10642 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.