CID 61660338

Tert-butyl 2-[1-(aminomethyl)cyclohexyl]acetate hydrochloride

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]+ 228.195796 156.7
[M+Na]+ 250.177738 160.0
[M-H]- 226.181244 158.6
[M+NH4]+ 245.222343 176.2
[M+K]+ 266.151678 159.1
[M+H-H2O]+ 210.185780 151.7
[M+HCOO]- 272.186721 174.1
[M+CH3COO]- 286.202371 191.3
[M+Na-2H]- 248.163186 159.9
[M]+ 227.18797142 153.3
[M]- 227.18906858 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