CID 2758551

4-(3,4-dimethylphenyl)aniline

Structural Information

Molecular Formula
C14H15N
SMILES
CC1=C(C=C(C=C1)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C14H15N/c1-10-3-4-13(9-11(10)2)12-5-7-14(15)8-6-12/h3-9H,15H2,1-2H3
InChIKey
XSRHBQWQHXRSQF-UHFFFAOYSA-N
Compound name
4-(3,4-dimethylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.5
[M+Na]+ 220.10967 152.3
[M-H]- 196.11317 150.6
[M+NH4]+ 215.15427 162.9
[M+K]+ 236.08361 148.0
[M+H-H2O]+ 180.11771 136.8
[M+HCOO]- 242.11865 168.4
[M+CH3COO]- 256.13430 189.6
[M+Na-2H]- 218.09512 148.9
[M]+ 197.11990 142.2
[M]- 197.12100 142.2
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