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

3
Patents

142.11061 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 133.2
[M+Na]+ 165.09983 139.2
[M-H]- 141.10333 130.4
[M+NH4]+ 160.14443 154.4
[M+K]+ 181.07377 136.0
[M+H-H2O]+ 125.10787 127.3
[M+HCOO]- 187.10881 148.5
[M+CH3COO]- 201.12446 144.3
[M+Na-2H]- 163.08528 135.1
[M]+ 142.11006 125.6
[M]- 142.11116 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