CID 22476051

5-(aminomethyl)pyrimidine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=C(C=NC(=N1)C#N)CN
InChI
InChI=1S/C6H6N4/c7-1-5-3-9-6(2-8)10-4-5/h3-4H,1,7H2
InChIKey
KSWGPGWIHUIGJM-UHFFFAOYSA-N
Compound name
5-(aminomethyl)pyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

134.05925 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 125.0
[M+Na]+ 157.048468 134.9
[M-H]- 133.051974 125.0
[M+NH4]+ 152.093073 141.5
[M+K]+ 173.022408 132.9
[M+H-H2O]+ 117.056510 111.0
[M+HCOO]- 179.057451 144.3
[M+CH3COO]- 193.073101 187.1
[M+Na-2H]- 155.033916 132.8
[M]+ 134.05870142 118.2
[M]- 134.05979858 118.2
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