CID 1257670

499770-63-7

Structural Information

Molecular Formula
C6H11N3
SMILES
CC1=NN(C(=C1)CN)C
InChI
InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
InChIKey
DAOWQCXPMWGSBW-UHFFFAOYSA-N
Compound name
(2,5-dimethylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

125.0953 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 124.9
[M+Na]+ 148.08452 134.6
[M-H]- 124.08802 126.1
[M+NH4]+ 143.12912 146.4
[M+K]+ 164.05846 133.1
[M+H-H2O]+ 108.09256 118.3
[M+HCOO]- 170.09350 149.0
[M+CH3COO]- 184.10915 174.1
[M+Na-2H]- 146.06997 130.2
[M]+ 125.09475 124.5
[M]- 125.09585 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe