CID 55281743

2-(aminomethyl)-4-methylaniline dihydrochloride

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=CC(=C(C=C1)N)CN
InChI
InChI=1S/C8H12N2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5,9-10H2,1H3
InChIKey
QPTHAAPTCAZVPS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

136.10005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.8
[M+Na]+ 159.089268 135.9
[M-H]- 135.092774 131.1
[M+NH4]+ 154.133873 149.1
[M+K]+ 175.063208 133.4
[M+H-H2O]+ 119.097310 122.2
[M+HCOO]- 181.098251 153.5
[M+CH3COO]- 195.113901 179.0
[M+Na-2H]- 157.074716 133.6
[M]+ 136.09950142 124.6
[M]- 136.10059858 124.6
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