CID 20113317

1016711-86-6

Structural Information

Molecular Formula
C10H10N4
SMILES
C1=CC(=CC=C1N)N(CC#N)CC#N
InChI
InChI=1S/C10H10N4/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,7-8,13H2
InChIKey
PUWPYVQWYQUGSP-UHFFFAOYSA-N
Compound name
2-[4-amino-N-(cyanomethyl)anilino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.097826 156.2
[M+Na]+ 209.079768 164.6
[M-H]- 185.083274 159.7
[M+NH4]+ 204.124373 168.7
[M+K]+ 225.053708 162.1
[M+H-H2O]+ 169.087810 140.4
[M+HCOO]- 231.088751 170.1
[M+CH3COO]- 245.104401 220.2
[M+Na-2H]- 207.065216 158.1
[M]+ 186.09000142 147.3
[M]- 186.09109858 147.3
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

No patent data available for this compound.