CID 146745899

2648938-64-9

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1CCOC2=C(C=NN2C1)N
InChI
InChI=1S/C7H11N3O/c8-6-5-9-10-3-1-2-4-11-7(6)10/h5H,1-4,8H2
InChIKey
RLZUNNFCUKWDHZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 127.2
[M+Na]+ 176.07943 133.5
[M-H]- 152.08293 130.4
[M+NH4]+ 171.12403 145.4
[M+K]+ 192.05337 136.2
[M+H-H2O]+ 136.08747 119.6
[M+HCOO]- 198.08841 146.7
[M+CH3COO]- 212.10406 139.8
[M+Na-2H]- 174.06488 134.1
[M]+ 153.08966 121.9
[M]- 153.09076 121.9
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.