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

3
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 144.6
[M+Na]+ 226.120228 151.6
[M-H]- 202.123734 145.3
[M+NH4]+ 221.164833 164.6
[M+K]+ 242.094168 147.4
[M+H-H2O]+ 186.128270 138.0
[M+HCOO]- 248.129211 158.8
[M+CH3COO]- 262.144861 155.9
[M+Na-2H]- 224.105676 151.4
[M]+ 203.13046142 140.8
[M]- 203.13155858 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