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]+ 218.15395 148.9
[M+Na]+ 240.13589 154.4
[M-H]- 216.13939 149.8
[M+NH4]+ 235.18049 168.3
[M+K]+ 256.10983 152.4
[M+H-H2O]+ 200.14393 143.8
[M+HCOO]- 262.14487 161.3
[M+CH3COO]- 276.16052 159.0
[M+Na-2H]- 238.12134 155.9
[M]+ 217.14612 141.0
[M]- 217.14722 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.