CID 167738142

2901099-70-3

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C2C1)NC
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-10-6-5-7-12(15-4)11(10)9-16/h10-12,15H,5-9H2,1-4H3
InChIKey
LOXCNMHMKADZCO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-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]+ 255.206706 163.7
[M+Na]+ 277.188648 167.7
[M-H]- 253.192154 165.7
[M+NH4]+ 272.233253 182.3
[M+K]+ 293.162588 166.1
[M+H-H2O]+ 237.196690 157.6
[M+HCOO]- 299.197631 179.2
[M+CH3COO]- 313.213281 197.5
[M+Na-2H]- 275.174096 164.8
[M]+ 254.19888142 160.6
[M]- 254.19997858 160.6
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.