CID 21867666

Octahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C6H12N2
SMILES
C1C2CNCC2CN1
InChI
InChI=1S/C6H12N2/c1-5-2-8-4-6(5)3-7-1/h5-8H,1-4H2
InChIKey
QFCMBRXRVQRSSF-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3268
Patents

112.10005 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 125.3
[M+Na]+ 135.08927 131.3
[M-H]- 111.09277 123.7
[M+NH4]+ 130.13387 148.1
[M+K]+ 151.06321 128.9
[M+H-H2O]+ 95.097310 119.0
[M+HCOO]- 157.09825 142.2
[M+CH3COO]- 171.11390 137.3
[M+Na-2H]- 133.07472 128.8
[M]+ 112.09950 117.4
[M]- 112.10060 117.4
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