CID 105422150

1333384-46-5

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)CN
InChI
InChI=1S/C14H26N2O2/c1-12(2,3)18-11(17)16-14-7-4-13(10-15,5-8-14)6-9-14/h4-10,15H2,1-3H3,(H,16,17)
InChIKey
HKIFFGIMDKXVHB-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 165.0
[M+Na]+ 277.188648 167.2
[M-H]- 253.192154 160.2
[M+NH4]+ 272.233253 189.3
[M+K]+ 293.162588 165.5
[M+H-H2O]+ 237.196690 160.8
[M+HCOO]- 299.197631 174.3
[M+CH3COO]- 313.213281 202.3
[M+Na-2H]- 275.174096 176.0
[M]+ 254.19888142 164.8
[M]- 254.19997858 164.8
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