CID 3059571

76777-20-3

Structural Information

Molecular Formula
C13H17NO
SMILES
CN1CCCC2CC1C3=C2C=C(C=C3)O
InChI
InChI=1S/C13H17NO/c1-14-6-2-3-9-7-13(14)11-5-4-10(15)8-12(9)11/h4-5,8-9,13,15H,2-3,6-7H2,1H3
InChIKey
CZSRYFBAUSBQRZ-UHFFFAOYSA-N
Compound name
9-methyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 143.9
[M+Na]+ 226.12023 151.0
[M-H]- 202.12373 146.8
[M+NH4]+ 221.16483 164.8
[M+K]+ 242.09417 149.7
[M+H-H2O]+ 186.12827 139.5
[M+HCOO]- 248.12921 160.2
[M+CH3COO]- 262.14486 155.8
[M+Na-2H]- 224.10568 148.7
[M]+ 203.13046 139.6
[M]- 203.13156 139.6
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.