CID 20761870

2204053-91-6

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1C2CNC(C2CN1)CO
InChI
InChI=1S/C7H14N2O/c10-4-7-6-3-8-1-5(6)2-9-7/h5-10H,1-4H2
InChIKey
HQMJWVCANIVKHA-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

142.11061 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 133.2
[M+Na]+ 165.099828 139.2
[M-H]- 141.103334 130.4
[M+NH4]+ 160.144433 154.4
[M+K]+ 181.073768 136.0
[M+H-H2O]+ 125.107870 127.3
[M+HCOO]- 187.108811 148.5
[M+CH3COO]- 201.124461 144.3
[M+Na-2H]- 163.085276 135.1
[M]+ 142.11006142 125.6
[M]- 142.11115858 125.6
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