CID 105433462

2309465-60-7

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN1C2=C(COCC2)C(=N1)CN
InChI
InChI=1S/C8H13N3O/c1-11-8-2-3-12-5-6(8)7(4-9)10-11/h2-5,9H2,1H3
InChIKey
DAHJAGXLQQWAHD-UHFFFAOYSA-N
Compound name
(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.3
[M+Na]+ 190.09509 143.6
[M-H]- 166.09859 137.3
[M+NH4]+ 185.13969 154.5
[M+K]+ 206.06903 142.4
[M+H-H2O]+ 150.10313 128.3
[M+HCOO]- 212.10407 155.0
[M+CH3COO]- 226.11972 180.2
[M+Na-2H]- 188.08054 141.2
[M]+ 167.10532 133.7
[M]- 167.10642 133.7
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.