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

8
Patents

167.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 133.8
[M+Na]+ 190.095088 139.7
[M-H]- 166.098594 132.8
[M+NH4]+ 185.139693 150.5
[M+K]+ 206.069028 140.0
[M+H-H2O]+ 150.103130 125.5
[M+HCOO]- 212.104071 149.3
[M+CH3COO]- 226.119721 144.6
[M+Na-2H]- 188.080536 138.9
[M]+ 167.10532142 126.8
[M]- 167.10641858 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