CID 43185727

1-[(oxolan-2-yl)methyl]-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CC(OC1)CN2C=C(C=N2)N
InChI
InChI=1S/C8H13N3O/c9-7-4-10-11(5-7)6-8-2-1-3-12-8/h4-5,8H,1-3,6,9H2
InChIKey
OXKCHLGFMPFNMY-UHFFFAOYSA-N
Compound name
1-(oxolan-2-ylmethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 134.5
[M+Na]+ 190.095088 141.4
[M-H]- 166.098594 138.6
[M+NH4]+ 185.139693 153.8
[M+K]+ 206.069028 140.9
[M+H-H2O]+ 150.103130 126.9
[M+HCOO]- 212.104071 156.6
[M+CH3COO]- 226.119721 147.6
[M+Na-2H]- 188.080536 138.0
[M]+ 167.10532142 131.9
[M]- 167.10641858 131.9
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