CID 137698872

2138231-04-4

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(C1CCCC2)CN
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-8-14(10-15)7-5-4-6-11(14)16/h11H,4-10,15H2,1-3H3
InChIKey
APOAUNNOAJYODG-UHFFFAOYSA-N
Compound name
tert-butyl 3a-(aminomethyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 163.8
[M+Na]+ 277.18865 167.9
[M-H]- 253.19215 165.2
[M+NH4]+ 272.23325 183.8
[M+K]+ 293.16259 166.1
[M+H-H2O]+ 237.19669 158.3
[M+HCOO]- 299.19763 178.6
[M+CH3COO]- 313.21328 195.2
[M+Na-2H]- 275.17410 165.8
[M]+ 254.19888 159.6
[M]- 254.19998 159.6
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.