CID 79001231

3-benzyl-3-methylazetidine hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(CNC1)CC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-11(8-12-9-11)7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKey
WRXQYWHXQSTUTA-UHFFFAOYSA-N
Compound name
3-benzyl-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 133.7
[M+Na]+ 184.10967 142.3
[M+NH4]+ 179.15427 140.5
[M+K]+ 200.08361 135.2
[M-H]- 160.11317 134.5
[M+Na-2H]- 182.09512 141.1
[M]+ 161.11990 134.1
[M]- 161.12100 134.1
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.