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]+ 204.138286 143.9
[M+Na]+ 226.120228 151.0
[M-H]- 202.123734 146.8
[M+NH4]+ 221.164833 164.8
[M+K]+ 242.094168 149.7
[M+H-H2O]+ 186.128270 139.5
[M+HCOO]- 248.129211 160.2
[M+CH3COO]- 262.144861 155.8
[M+Na-2H]- 224.105676 148.7
[M]+ 203.13046142 139.6
[M]- 203.13155858 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.