CID 132344160

2137836-49-6

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC[C@]2(CC(=O)N[C@H]2C1)N
InChI
InChI=1S/C8H14N2O/c9-8-4-2-1-3-6(8)10-7(11)5-8/h6H,1-5,9H2,(H,10,11)/t6-,8+/m0/s1
InChIKey
WUOJZWVDFYJWDP-POYBYMJQSA-N
Compound name
(3aR,7aS)-3a-amino-3,4,5,6,7,7a-hexahydro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.3
[M+Na]+ 177.099828 139.4
[M-H]- 153.103334 134.0
[M+NH4]+ 172.144433 156.4
[M+K]+ 193.073768 136.5
[M+H-H2O]+ 137.107870 128.0
[M+HCOO]- 199.108811 151.0
[M+CH3COO]- 213.124461 173.2
[M+Na-2H]- 175.085276 138.0
[M]+ 154.11006142 125.0
[M]- 154.11115858 125.0
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

No patent data available for this compound.