CID 135294637

4h,5h,6h,7h,8h-pyrazolo[1,5-a][1,4]diazepin-2-amine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CNCC2=CC(=NN2C1)N
InChI
InChI=1S/C7H12N4/c8-7-4-6-5-9-2-1-3-11(6)10-7/h4,9H,1-3,5H2,(H2,8,10)
InChIKey
IMQGJTWGILNPMZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 129.9
[M+Na]+ 175.09542 136.0
[M-H]- 151.09892 130.0
[M+NH4]+ 170.14002 147.4
[M+K]+ 191.06936 136.6
[M+H-H2O]+ 135.10346 121.1
[M+HCOO]- 197.10440 147.4
[M+CH3COO]- 211.12005 141.2
[M+Na-2H]- 173.08087 135.6
[M]+ 152.10565 121.5
[M]- 152.10675 121.5
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