CID 211396

23007-92-3

Structural Information

Molecular Formula
C13H17NO
SMILES
CN1CCC2CC1CC3=C2C=C(C=C3)O
InChI
InChI=1S/C13H17NO/c1-14-5-4-10-7-11(14)6-9-2-3-12(15)8-13(9)10/h2-3,8,10-11,15H,4-7H2,1H3
InChIKey
JANBJBABWKFLQT-UHFFFAOYSA-N
Compound name
10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 144.6
[M+Na]+ 226.12023 151.6
[M-H]- 202.12373 145.3
[M+NH4]+ 221.16483 164.6
[M+K]+ 242.09417 147.4
[M+H-H2O]+ 186.12827 138.0
[M+HCOO]- 248.12921 158.8
[M+CH3COO]- 262.14486 155.9
[M+Na-2H]- 224.10568 151.4
[M]+ 203.13046 140.8
[M]- 203.13156 140.8
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

patents stripe