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

107
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

literature stripe

Patent stripe

patents stripe