CID 13519601

13509-71-2

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CN(C1)CC2=CC=CC=C2)C
InChI
InChI=1S/C12H17N/c1-12(2)9-13(10-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
WPDLZIHBUNVNLF-UHFFFAOYSA-N
Compound name
1-benzyl-3,3-dimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 137.7
[M+Na]+ 198.12532 144.6
[M-H]- 174.12882 143.1
[M+NH4]+ 193.16992 152.5
[M+K]+ 214.09926 145.0
[M+H-H2O]+ 158.13336 126.7
[M+HCOO]- 220.13430 158.5
[M+CH3COO]- 234.14995 185.2
[M+Na-2H]- 196.11077 144.5
[M]+ 175.13555 145.8
[M]- 175.13665 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe