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

5
Patents

185.11642 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.123696 139.3
[M+Na]+ 208.105638 143.5
[M-H]- 184.109144 141.6
[M+NH4]+ 203.150243 158.0
[M+K]+ 224.079578 143.3
[M+H-H2O]+ 168.113680 132.6
[M+HCOO]- 230.114621 157.8
[M+CH3COO]- 244.130271 183.7
[M+Na-2H]- 206.091086 143.5
[M]+ 185.11587142 133.1
[M]- 185.11696858 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