CID 79688972

3-(3,3-dimethylazetidin-1-yl)aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1(CN(C1)C2=CC=CC(=C2)N)C
InChI
InChI=1S/C11H16N2/c1-11(2)7-13(8-11)10-5-3-4-9(12)6-10/h3-6H,7-8,12H2,1-2H3
InChIKey
POPJBQYLCMFBEG-UHFFFAOYSA-N
Compound name
3-(3,3-dimethylazetidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.0
[M+Na]+ 199.12057 147.2
[M+NH4]+ 194.16517 145.4
[M+K]+ 215.09451 140.7
[M-H]- 175.12407 140.4
[M+Na-2H]- 197.10602 145.6
[M]+ 176.13080 139.5
[M]- 176.13190 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

No patent data available for this compound.