CID 12958532

(3ar,6as)-2-methyl-octahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C7H14N2
SMILES
CN1C[C@H]2CNC[C@H]2C1
InChI
InChI=1S/C7H14N2/c1-9-4-6-2-8-3-7(6)5-9/h6-8H,2-5H2,1H3/t6-,7+
InChIKey
YQURLNGUWNDBIR-KNVOCYPGSA-N
Compound name
(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1097
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 129.3
[M+Na]+ 149.10492 136.2
[M-H]- 125.10842 129.2
[M+NH4]+ 144.14952 152.6
[M+K]+ 165.07886 134.4
[M+H-H2O]+ 109.11296 123.0
[M+HCOO]- 171.11390 147.4
[M+CH3COO]- 185.12955 141.9
[M+Na-2H]- 147.09037 132.0
[M]+ 126.11515 124.0
[M]- 126.11625 124.0
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