CID 5746389

74958-13-7

Structural Information

Molecular Formula
C14H19NO
SMILES
C[C@@]12CCNCC(C1)CC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H19NO/c1-14-4-5-15-9-10(8-14)6-11-2-3-12(16)7-13(11)14/h2-3,7,10,15-16H,4-6,8-9H2,1H3/t10?,14-/m1/s1
InChIKey
XMWIRHHXZICAHD-LNUXAPHWSA-N
Compound name
(1S)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 148.9
[M+Na]+ 240.135888 154.4
[M-H]- 216.139394 149.8
[M+NH4]+ 235.180493 168.3
[M+K]+ 256.109828 152.4
[M+H-H2O]+ 200.143930 143.8
[M+HCOO]- 262.144871 161.3
[M+CH3COO]- 276.160521 159.0
[M+Na-2H]- 238.121336 155.9
[M]+ 217.14612142 141.0
[M]- 217.14721858 141.0
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.