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]+ 154.097486 127.2
[M+Na]+ 176.079428 133.5
[M-H]- 152.082934 130.4
[M+NH4]+ 171.124033 145.4
[M+K]+ 192.053368 136.2
[M+H-H2O]+ 136.087470 119.6
[M+HCOO]- 198.088411 146.7
[M+CH3COO]- 212.104061 139.8
[M+Na-2H]- 174.064876 134.1
[M]+ 153.08966142 121.9
[M]- 153.09075858 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.