CID 28965606

(5-methoxy-1,3-dimethyl-1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC1=NN(C(=C1CN)OC)C
InChI
InChI=1S/C7H13N3O/c1-5-6(4-8)7(11-3)10(2)9-5/h4,8H2,1-3H3
InChIKey
KPSCRVKNEQXWFI-UHFFFAOYSA-N
Compound name
(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 132.3
[M+Na]+ 178.09509 142.5
[M-H]- 154.09859 133.8
[M+NH4]+ 173.13969 152.8
[M+K]+ 194.06903 141.1
[M+H-H2O]+ 138.10313 125.7
[M+HCOO]- 200.10407 156.3
[M+CH3COO]- 214.11972 180.4
[M+Na-2H]- 176.08054 136.4
[M]+ 155.10532 134.1
[M]- 155.10642 134.1
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