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

86
Patents

136.10005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.5
[M+Na]+ 159.08927 139.3
[M+NH4]+ 154.13387 136.5
[M+K]+ 175.06321 133.1
[M-H]- 135.09277 131.2
[M+Na-2H]- 157.07472 134.5
[M]+ 136.09950 130.0
[M]- 136.10060 130.0
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

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