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]+ 128.081836 123.2
[M+Na]+ 150.063778 132.3
[M-H]- 126.067284 124.1
[M+NH4]+ 145.108383 144.1
[M+K]+ 166.037718 131.5
[M+H-H2O]+ 110.071820 116.2
[M+HCOO]- 172.072761 147.8
[M+CH3COO]- 186.088411 172.0
[M+Na-2H]- 148.049226 129.8
[M]+ 127.07401142 123.4
[M]- 127.07510858 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