CID 6453079

Octahydro-2-nitrosocyclopenta[c]pyrrole

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC2CN(CC2C1)N=O
InChI
InChI=1S/C7H12N2O/c10-8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2
InChIKey
FSCBDDOKZIRLCN-UHFFFAOYSA-N
Compound name
2-nitroso-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

140.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.4
[M+Na]+ 163.08418 135.4
[M-H]- 139.08768 132.5
[M+NH4]+ 158.12878 153.5
[M+K]+ 179.05812 135.2
[M+H-H2O]+ 123.09222 122.3
[M+HCOO]- 185.09316 152.2
[M+CH3COO]- 199.10881 176.6
[M+Na-2H]- 161.06963 133.0
[M]+ 140.09441 126.3
[M]- 140.09551 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe