CID 79089573

1803570-82-2

Structural Information

Molecular Formula
C11H19N5O
SMILES
C1CC2COC(CN2C1)C3=NNC(=N3)CCN
InChI
InChI=1S/C11H19N5O/c12-4-3-10-13-11(15-14-10)9-6-16-5-1-2-8(16)7-17-9/h8-9H,1-7,12H2,(H,13,14,15)
InChIKey
RWFFRTLYWXYVCK-UHFFFAOYSA-N
Compound name
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15897 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16625 154.8
[M+Na]+ 260.14819 160.4
[M-H]- 236.15169 155.3
[M+NH4]+ 255.19279 168.7
[M+K]+ 276.12213 157.6
[M+H-H2O]+ 220.15623 145.4
[M+HCOO]- 282.15717 168.7
[M+CH3COO]- 296.17282 164.3
[M+Na-2H]- 258.13364 155.6
[M]+ 237.15842 149.0
[M]- 237.15952 149.0
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.