CID 136576292

2225144-67-0

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(C1CCCCC2)N
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-9-14(15)8-6-4-5-7-11(14)16/h11H,4-10,15H2,1-3H3
InChIKey
NPISOLQCJUHVDB-UHFFFAOYSA-N
Compound name
tert-butyl 3a-amino-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 159.7
[M+Na]+ 277.18865 162.4
[M-H]- 253.19215 162.5
[M+NH4]+ 272.23325 178.3
[M+K]+ 293.16259 163.9
[M+H-H2O]+ 237.19669 153.8
[M+HCOO]- 299.19763 174.1
[M+CH3COO]- 313.21328 196.2
[M+Na-2H]- 275.17410 161.5
[M]+ 254.19888 152.5
[M]- 254.19998 152.5
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.