CID 3063553

9-hydroxymethyljulolidine

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)CO
InChI
InChI=1S/C13H17NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-8,15H,1-6,9H2
InChIKey
OTRHTQIEJBKBAT-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.2
[M+Na]+ 226.12023 150.9
[M-H]- 202.12373 146.1
[M+NH4]+ 221.16483 164.5
[M+K]+ 242.09417 146.8
[M+H-H2O]+ 186.12827 138.1
[M+HCOO]- 248.12921 159.7
[M+CH3COO]- 262.14486 156.1
[M+Na-2H]- 224.10568 152.0
[M]+ 203.13046 140.9
[M]- 203.13156 140.9
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