CID 75480575

4-(aminomethyl)-1-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H10N4
SMILES
CN1C=C(C(=N1)N)CN
InChI
InChI=1S/C5H10N4/c1-9-3-4(2-6)5(7)8-9/h3H,2,6H2,1H3,(H2,7,8)
InChIKey
KJPISRZKUHMHMC-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.090546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.3
[M+Na]+ 149.07976 133.6
[M-H]- 125.08327 125.2
[M+NH4]+ 144.12437 145.1
[M+K]+ 165.05370 131.9
[M+H-H2O]+ 109.08781 117.4
[M+HCOO]- 171.08875 149.1
[M+CH3COO]- 185.10440 175.4
[M+Na-2H]- 147.06521 129.5
[M]+ 126.09000 121.8
[M]- 126.09109 121.8
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