CID 45088741

4-(azetidin-1-yl)-2-methylaniline

Structural Information

Molecular Formula
C10H14N2
SMILES
CC1=C(C=CC(=C1)N2CCC2)N
InChI
InChI=1S/C10H14N2/c1-8-7-9(3-4-10(8)11)12-5-2-6-12/h3-4,7H,2,5-6,11H2,1H3
InChIKey
MOSQPXDQOSPHTN-UHFFFAOYSA-N
Compound name
4-(azetidin-1-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 134.3
[M+Na]+ 185.10491 140.8
[M-H]- 161.10841 139.2
[M+NH4]+ 180.14951 147.0
[M+K]+ 201.07885 141.3
[M+H-H2O]+ 145.11295 122.0
[M+HCOO]- 207.11389 155.8
[M+CH3COO]- 221.12954 184.8
[M+Na-2H]- 183.09036 139.5
[M]+ 162.11514 139.9
[M]- 162.11624 139.9
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