CID 7017634

1001500-80-6

Structural Information

Molecular Formula
C5H9N3O
SMILES
COCN1C=C(C=N1)N
InChI
InChI=1S/C5H9N3O/c1-9-4-8-3-5(6)2-7-8/h2-3H,4,6H2,1H3
InChIKey
MIBJLZRVWQFOMK-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

127.07456 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 123.2
[M+Na]+ 150.06378 132.3
[M-H]- 126.06728 124.1
[M+NH4]+ 145.10838 144.1
[M+K]+ 166.03772 131.5
[M+H-H2O]+ 110.07182 116.2
[M+HCOO]- 172.07276 147.8
[M+CH3COO]- 186.08841 172.0
[M+Na-2H]- 148.04923 129.8
[M]+ 127.07401 123.4
[M]- 127.07511 123.4
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