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]+ 204.138286 145.2
[M+Na]+ 226.120228 150.9
[M-H]- 202.123734 146.1
[M+NH4]+ 221.164833 164.5
[M+K]+ 242.094168 146.8
[M+H-H2O]+ 186.128270 138.1
[M+HCOO]- 248.129211 159.7
[M+CH3COO]- 262.144861 156.1
[M+Na-2H]- 224.105676 152.0
[M]+ 203.13046142 140.9
[M]- 203.13155858 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