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
(3aR,6aS)-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

1103
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 129.3
[M+Na]+ 149.104918 136.2
[M-H]- 125.108424 129.2
[M+NH4]+ 144.149523 152.6
[M+K]+ 165.078858 134.4
[M+H-H2O]+ 109.112960 123.0
[M+HCOO]- 171.113901 147.4
[M+CH3COO]- 185.129551 141.9
[M+Na-2H]- 147.090366 132.0
[M]+ 126.11515142 124.0
[M]- 126.11624858 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