CID 178096

2-(aminomethyl)aniline

Structural Information

Molecular Formula
C7H10N2
SMILES
C1=CC=C(C(=C1)CN)N
InChI
InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,8-9H2
InChIKey
GVOYKJPMUUJXBS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2692
Patents

122.0844 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.1
[M+Na]+ 145.07362 130.6
[M-H]- 121.07712 126.2
[M+NH4]+ 140.11822 144.6
[M+K]+ 161.04756 128.4
[M+H-H2O]+ 105.08166 117.5
[M+HCOO]- 167.08260 149.1
[M+CH3COO]- 181.09825 174.7
[M+Na-2H]- 143.05907 130.2
[M]+ 122.08385 119.1
[M]- 122.08495 119.1
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