CID 98041188

1909294-89-8

Structural Information

Molecular Formula
C8H15N3O2
SMILES
C1C[C@@H]2CO[C@@H](CN2C1)C(=O)NN
InChI
InChI=1S/C8H15N3O2/c9-10-8(12)7-4-11-3-1-2-6(11)5-13-7/h6-7H,1-5,9H2,(H,10,12)/t6-,7+/m1/s1
InChIKey
VKAKOUNSPUFPLF-RQJHMYQMSA-N
Compound name
(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.11642 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12370 139.3
[M+Na]+ 208.10564 143.5
[M-H]- 184.10914 141.6
[M+NH4]+ 203.15024 158.0
[M+K]+ 224.07958 143.3
[M+H-H2O]+ 168.11368 132.6
[M+HCOO]- 230.11462 157.8
[M+CH3COO]- 244.13027 183.7
[M+Na-2H]- 206.09109 143.5
[M]+ 185.11587 133.1
[M]- 185.11697 133.1
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