CID 77447473

2172595-02-5

Structural Information

Molecular Formula
C9H18N2
SMILES
CN1CC2CCCC(C2C1)N
InChI
InChI=1S/C9H18N2/c1-11-5-7-3-2-4-9(10)8(7)6-11/h7-9H,2-6,10H2,1H3
InChIKey
WDTYUDKGVGNUJZ-UHFFFAOYSA-N
Compound name
2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 135.6
[M+Na]+ 177.13622 141.3
[M-H]- 153.13972 137.5
[M+NH4]+ 172.18082 157.8
[M+K]+ 193.11016 139.1
[M+H-H2O]+ 137.14426 129.5
[M+HCOO]- 199.14520 154.1
[M+CH3COO]- 213.16085 179.2
[M+Na-2H]- 175.12167 138.3
[M]+ 154.14645 128.8
[M]- 154.14755 128.8
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

patents stripe