CID 42678

58256-43-2

Structural Information

Molecular Formula
C12H23NO
SMILES
CC1(C2CCC1(C(C2)O)CN(C)C)C
InChI
InChI=1S/C12H23NO/c1-11(2)9-5-6-12(11,8-13(3)4)10(14)7-9/h9-10,14H,5-8H2,1-4H3
InChIKey
MIRJRWUZYBHBJV-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 147.2
[M+Na]+ 220.16718 154.5
[M-H]- 196.17068 150.3
[M+NH4]+ 215.21178 175.7
[M+K]+ 236.14112 152.7
[M+H-H2O]+ 180.17522 144.2
[M+HCOO]- 242.17616 167.6
[M+CH3COO]- 256.19181 189.8
[M+Na-2H]- 218.15263 150.6
[M]+ 197.17741 147.4
[M]- 197.17851 147.4
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.