CID 55256055

4-(aminomethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C7H11N3
SMILES
C1=CC(=C(C=C1CN)N)N
InChI
InChI=1S/C7H11N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4,8-10H2
InChIKey
NIFORNFMPZNGPI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

137.09529 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 127.1
[M+Na]+ 160.08451 134.8
[M-H]- 136.08801 130.0
[M+NH4]+ 155.12911 147.6
[M+K]+ 176.05845 132.2
[M+H-H2O]+ 120.09255 121.2
[M+HCOO]- 182.09349 153.4
[M+CH3COO]- 196.10914 180.5
[M+Na-2H]- 158.06996 132.6
[M]+ 137.09474 121.8
[M]- 137.09584 121.8
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