CID 14654425

(1-benzylazetidine-2,4-diyl)dimethanol

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1C(N(C1CO)CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO2/c14-8-11-6-12(9-15)13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2
InChIKey
STVDKEPRJUNWSZ-UHFFFAOYSA-N
Compound name
[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.1
[M+Na]+ 230.11515 150.5
[M-H]- 206.11865 147.5
[M+NH4]+ 225.15975 155.1
[M+K]+ 246.08909 150.2
[M+H-H2O]+ 190.12319 133.0
[M+HCOO]- 252.12413 163.1
[M+CH3COO]- 266.13978 185.6
[M+Na-2H]- 228.10060 149.0
[M]+ 207.12538 152.3
[M]- 207.12648 152.3
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