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]+ 168.113146 135.3
[M+Na]+ 190.095088 143.6
[M-H]- 166.098594 137.3
[M+NH4]+ 185.139693 154.5
[M+K]+ 206.069028 142.4
[M+H-H2O]+ 150.103130 128.3
[M+HCOO]- 212.104071 155.0
[M+CH3COO]- 226.119721 180.2
[M+Na-2H]- 188.080536 141.2
[M]+ 167.10532142 133.7
[M]- 167.10641858 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.