CID 126796965

2094924-99-7

Structural Information

Molecular Formula
C9H18N2
SMILES
CC12CNCC1(CN(C2)C)C
InChI
InChI=1S/C9H18N2/c1-8-4-10-5-9(8,2)7-11(3)6-8/h10H,4-7H2,1-3H3
InChIKey
HUJAYOROWVAELT-UHFFFAOYSA-N
Compound name
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 136.0
[M+Na]+ 177.13622 144.1
[M-H]- 153.13972 136.5
[M+NH4]+ 172.18082 162.3
[M+K]+ 193.11016 141.8
[M+H-H2O]+ 137.14426 130.8
[M+HCOO]- 199.14520 153.6
[M+CH3COO]- 213.16085 148.8
[M+Na-2H]- 175.12167 140.1
[M]+ 154.14645 132.1
[M]- 154.14755 132.1
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