CID 61660338

2193065-76-6

Structural Information

Molecular Formula
C13H25NO2
SMILES
CC(C)(C)OC(=O)CC1(CCCCC1)CN
InChI
InChI=1S/C13H25NO2/c1-12(2,3)16-11(15)9-13(10-14)7-5-4-6-8-13/h4-10,14H2,1-3H3
InChIKey
WRNVQZGKIYMQMG-UHFFFAOYSA-N
Compound name
tert-butyl 2-[1-(aminomethyl)cyclohexyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

227.18852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 156.7
[M+Na]+ 250.17774 160.0
[M-H]- 226.18124 158.6
[M+NH4]+ 245.22234 176.2
[M+K]+ 266.15168 159.1
[M+H-H2O]+ 210.18578 151.7
[M+HCOO]- 272.18672 174.1
[M+CH3COO]- 286.20237 191.3
[M+Na-2H]- 248.16319 159.9
[M]+ 227.18797 153.3
[M]- 227.18907 153.3
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