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 144.4
[M+Na]+ 220.16718 147.5
[M-H]- 196.17068 149.1
[M+NH4]+ 215.21178 152.4
[M+K]+ 236.14112 151.7
[M+H-H2O]+ 180.17522 131.2
[M+HCOO]- 242.17616 160.7
[M+CH3COO]- 256.19181 199.8
[M+Na-2H]- 218.15263 148.3
[M]+ 197.17741 159.0
[M]- 197.17851 159.0
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.