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]+ 155.11789 133.3
[M+Na]+ 177.09983 139.4
[M-H]- 153.10333 134.0
[M+NH4]+ 172.14443 156.4
[M+K]+ 193.07377 136.5
[M+H-H2O]+ 137.10787 128.0
[M+HCOO]- 199.10881 151.0
[M+CH3COO]- 213.12446 173.2
[M+Na-2H]- 175.08528 138.0
[M]+ 154.11006 125.0
[M]- 154.11116 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.