CID 45791011

1177281-29-6

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NNC(=O)C1CN
InChI
InChI=1S/C5H9N3O/c1-3-4(2-6)5(9)8-7-3/h4H,2,6H2,1H3,(H,8,9)
InChIKey
SLRAMJQVDAKORR-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 125.1
[M+Na]+ 150.06378 133.9
[M-H]- 126.06728 124.7
[M+NH4]+ 145.10838 145.4
[M+K]+ 166.03772 131.8
[M+H-H2O]+ 110.07182 118.7
[M+HCOO]- 172.07276 146.9
[M+CH3COO]- 186.08841 170.0
[M+Na-2H]- 148.04923 129.3
[M]+ 127.07401 121.6
[M]- 127.07511 121.6
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.