CID 209422

19832-37-2

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCC1(CN(C1)CC)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-3-8-14(10-15(4-2)11-14)12-6-5-7-13(16)9-12/h5-7,9,16H,3-4,8,10-11H2,1-2H3
InChIKey
VTGRLWVHXLIUOC-UHFFFAOYSA-N
Compound name
3-(1-ethyl-3-propylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.6
[M+Na]+ 242.15153 157.8
[M-H]- 218.15503 155.5
[M+NH4]+ 237.19613 164.1
[M+K]+ 258.12547 157.4
[M+H-H2O]+ 202.15957 140.4
[M+HCOO]- 264.16051 170.3
[M+CH3COO]- 278.17616 191.5
[M+Na-2H]- 240.13698 156.0
[M]+ 219.16176 160.2
[M]- 219.16286 160.2
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.