CID 1208

Norcyclazocine

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1C2CC3=C(C1(CCN2)C)C=C(C=C3)O
InChI
InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3
InChIKey
DXESFJJJWBHLJX-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

106
Patents

217.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.7
[M+Na]+ 240.13589 158.1
[M-H]- 216.13939 150.3
[M+NH4]+ 235.18049 171.6
[M+K]+ 256.10983 152.8
[M+H-H2O]+ 200.14393 144.6
[M+HCOO]- 262.14487 163.0
[M+CH3COO]- 276.16052 161.3
[M+Na-2H]- 238.12134 157.4
[M]+ 217.14612 145.8
[M]- 217.14722 145.8
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.