CID 209423

19832-53-2

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCC1(CN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-4-5-9-15(11-16(2)12-15)13-7-6-8-14(17)10-13/h6-8,10,17H,3-5,9,11-12H2,1-2H3
InChIKey
BVHFQVFALHWYPP-UHFFFAOYSA-N
Compound name
3-(1-methyl-3-pentylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.2
[M+Na]+ 256.167178 162.0
[M-H]- 232.170684 159.9
[M+NH4]+ 251.211783 168.1
[M+K]+ 272.141118 161.3
[M+H-H2O]+ 216.175220 144.8
[M+HCOO]- 278.176161 174.6
[M+CH3COO]- 292.191811 194.4
[M+Na-2H]- 254.152626 160.0
[M]+ 233.17741142 165.1
[M]- 233.17850858 165.1
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.