CID 49757491

{4h,5h,6h,7h,8h-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol

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

11
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 133.8
[M+Na]+ 190.09509 139.7
[M-H]- 166.09859 132.8
[M+NH4]+ 185.13969 150.5
[M+K]+ 206.06903 140.0
[M+H-H2O]+ 150.10313 125.5
[M+HCOO]- 212.10407 149.3
[M+CH3COO]- 226.11972 144.6
[M+Na-2H]- 188.08054 138.9
[M]+ 167.10532 126.8
[M]- 167.10642 126.8
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