CID 14322402

(3-phenylazetidin-3-yl)methanol hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(CN1)(CO)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c12-8-10(6-11-7-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKey
BGORPCNZTLVDOY-UHFFFAOYSA-N
Compound name
(3-phenylazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.9
[M+Na]+ 186.08894 140.6
[M-H]- 162.09244 137.4
[M+NH4]+ 181.13354 148.2
[M+K]+ 202.06288 140.2
[M+H-H2O]+ 146.09698 124.1
[M+HCOO]- 208.09792 153.5
[M+CH3COO]- 222.11357 175.1
[M+Na-2H]- 184.07439 142.3
[M]+ 163.09917 139.5
[M]- 163.10027 139.5
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