CID 125528687

Rac-(3ar,6as)-3a-methyl-hexahydro-1h-furo[3,4-c]pyrrole hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C[C@]12CNC[C@H]1COC2
InChI
InChI=1S/C7H13NO/c1-7-4-8-2-6(7)3-9-5-7/h6,8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
TXLAYODJGYCSDO-NKWVEPMBSA-N
Compound name
(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.7
[M+Na]+ 150.08894 133.7
[M-H]- 126.09244 128.7
[M+NH4]+ 145.13354 151.8
[M+K]+ 166.06288 133.2
[M+H-H2O]+ 110.09698 122.2
[M+HCOO]- 172.09792 145.4
[M+CH3COO]- 186.11357 140.2
[M+Na-2H]- 148.07439 132.4
[M]+ 127.09917 122.8
[M]- 127.10027 122.8
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

No patent data available for this compound.