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]+ 168.11315 134.5
[M+Na]+ 190.09509 141.4
[M-H]- 166.09859 138.6
[M+NH4]+ 185.13969 153.8
[M+K]+ 206.06903 140.9
[M+H-H2O]+ 150.10313 126.9
[M+HCOO]- 212.10407 156.6
[M+CH3COO]- 226.11972 147.6
[M+Na-2H]- 188.08054 138.0
[M]+ 167.10532 131.9
[M]- 167.10642 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