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]+ 156.113146 132.3
[M+Na]+ 178.095088 142.5
[M-H]- 154.098594 133.8
[M+NH4]+ 173.139693 152.8
[M+K]+ 194.069028 141.1
[M+H-H2O]+ 138.103130 125.7
[M+HCOO]- 200.104071 156.3
[M+CH3COO]- 214.119721 180.4
[M+Na-2H]- 176.080536 136.4
[M]+ 155.10532142 134.1
[M]- 155.10641858 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