CID 49757491

1221792-15-9

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CNCC2=CC(=NN2C1)CO
InChI
InChI=1S/C8H13N3O/c12-6-7-4-8-5-9-2-1-3-11(8)10-7/h4,9,12H,1-3,5-6H2
InChIKey
OMXZUACVERIOMC-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

167.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 133.2
[M+Na]+ 190.09509 141.6
[M+NH4]+ 185.13969 139.8
[M+K]+ 206.06903 139.9
[M-H]- 166.09859 132.2
[M+Na-2H]- 188.08054 136.9
[M]+ 167.10532 133.8
[M]- 167.10642 133.8
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