CID 7242

O-toluidine

Structural Information

Molecular Formula
C7H9N
SMILES
CC1=CC=CC=C1N
InChI
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChIKey
RNVCVTLRINQCPJ-UHFFFAOYSA-N
Compound name
2-methylaniline
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3220
References

112728
Patents

107.0735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 118.6
[M+Na]+ 130.062718 127.0
[M-H]- 106.066224 122.4
[M+NH4]+ 125.107323 141.4
[M+K]+ 146.036658 125.3
[M+H-H2O]+ 90.070760 113.6
[M+HCOO]- 152.071701 144.3
[M+CH3COO]- 166.087351 170.5
[M+Na-2H]- 128.048166 126.6
[M]+ 107.07295142 116.4
[M]- 107.07404858 116.4
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