CID 138046624

2248327-26-4

Structural Information

Molecular Formula
C12H23NO
SMILES
CC(C)(C)O[C@@H]1C[C@@H](C12CCC2)CN
InChI
InChI=1S/C12H23NO/c1-11(2,3)14-10-7-9(8-13)12(10)5-4-6-12/h9-10H,4-8,13H2,1-3H3/t9-,10-/m1/s1
InChIKey
XKZQGUBXJNFNFM-NXEZZACHSA-N
Compound name
[(1S,3R)-3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 154.7
[M+Na]+ 220.16718 154.5
[M+NH4]+ 215.21178 156.1
[M+K]+ 236.14112 151.6
[M-H]- 196.17068 151.3
[M+Na-2H]- 218.15263 154.4
[M]+ 197.17741 151.6
[M]- 197.17851 151.6
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

No patent data available for this compound.