CID 28309096

124789-18-0

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CCC[C@@H](C1)N
InChI
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h8-9H,4-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKey
MDFWHHAKFURWJC-BDAKNGLRSA-N
Compound name
tert-butyl (1R,3S)-3-aminocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

199.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 147.7
[M+Na]+ 222.14645 151.8
[M-H]- 198.14995 150.0
[M+NH4]+ 217.19105 166.5
[M+K]+ 238.12039 151.1
[M+H-H2O]+ 182.15449 142.3
[M+HCOO]- 244.15543 165.7
[M+CH3COO]- 258.17108 186.8
[M+Na-2H]- 220.13190 150.0
[M]+ 199.15668 143.6
[M]- 199.15778 143.6
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

patents stripe